2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide

C163H149F10N35O14S18 — CID 158813993

IUPAC2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide
SMILESCC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccsc1.CC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.CC(C)(C)OC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccsc2)n1C(=O)CC(C)(C)C)c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccsc2)n1C)c1ccccc1.CN(C(=O)C1(Sc2nnc(-c3ccsc3)n2C)CCC1)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccsc1.O=C(CSc1nnc(-c2ccsc2)n1Cc1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccsc2)C1
InChIInChI=1S/C21H22F2N4O2S2.C21H22N4O3S2.C21H18N4OS2.C19H20N4OS2.C18H16N4O2S2.C17H14F2N4O2S2.C16H14F2N4OS2.C15H12F2N4OS2.C15H11F2N3OS2/c1-20(2,3)12-16(28)27-17(14-10-11-30-13-14)24-25-19(27)31-21(22,23)18(29)26(4)15-8-6-5-7-9-15;1-20(2,3)28-19(27)25-16(14-9-12-29-13-14)23-24-18(25)30-21(10-11-21)17(26)22-15-7-5-4-6-8-15;26-19(22-18-9-5-2-6-10-18)15-28-21-24-23-20(17-11-12-27-14-17)25(21)13-16-7-3-1-4-8-16;1-22(15-7-4-3-5-8-15)17(24)19(10-6-11-19)26-18-21-20-16(23(18)2)14-9-12-25-13-14;1-12(23)22-15(13-7-10-25-11-13)20-21-17(22)26-18(8-9-18)16(24)19-14-5-3-2-4-6-14;1-11(24)23-14(12-8-9-26-10-12)20-21-16(23)27-17(18,19)15(25)22(2)13-6-4-3-5-7-13;1-21(12-6-4-3-5-7-12)14(23)16(17,18)25-15-20-19-13(22(15)2)11-8-9-24-10-11;1-21-12(10-7-8-23-9-10)19-20-14(21)24-15(16,17)13(22)18-11-5-3-2-4-6-11;16-15(17,14(21)18-11-4-2-1-3-5-11)23-13-8-12(19-20-13)10-6-7-22-9-10/h5-11,13H,12H2,1-4H3;4-9,12-13H,10-11H2,1-3H3,(H,22,26);1-12,14H,13,15H2,(H,22,26);3-5,7-9,12-13H,6,10-11H2,1-2H3;2-7,10-11H,8-9H2,1H3,(H,19,24);3-10H,1-2H3;3-10H,1-2H3;2-9H,1H3,(H,18,22);1-7,9H,8H2,(H,18,21)
InChIKeyIVAPZXROXIVLNA-UHFFFAOYSA-N
MW3589.40 g/mol
LogP39.41
Rot. Bonds47

About 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide

2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide (PubChem CID 158813993) has the molecular formula C163H149F10N35O14S18 and a molecular weight of 3589.40 g/mol. Its IUPAC name is 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide
PubChem CID158813993
Molecular FormulaC163H149F10N35O14S18
Molecular Weight3589.40 g/mol
Exact Mass3585.68
IUPAC Name2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide
SMILESCC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccsc1.CC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.CC(C)(C)OC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccsc2)n1C(=O)CC(C)(C)C)c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccsc2)n1C)c1ccccc1.CN(C(=O)C1(Sc2nnc(-c3ccsc3)n2C)CCC1)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccsc1.O=C(CSc1nnc(-c2ccsc2)n1Cc1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccsc2)C1
InChIInChI=1S/C21H22F2N4O2S2.C21H22N4O3S2.C21H18N4OS2.C19H20N4OS2.C18H16N4O2S2.C17H14F2N4O2S2.C16H14F2N4OS2.C15H12F2N4OS2.C15H11F2N3OS2/c1-20(2,3)12-16(28)27-17(14-10-11-30-13-14)24-25-19(27)31-21(22,23)18(29)26(4)15-8-6-5-7-9-15;1-20(2,3)28-19(27)25-16(14-9-12-29-13-14)23-24-18(25)30-21(10-11-21)17(26)22-15-7-5-4-6-8-15;26-19(22-18-9-5-2-6-10-18)15-28-21-24-23-20(17-11-12-27-14-17)25(21)13-16-7-3-1-4-8-16;1-22(15-7-4-3-5-8-15)17(24)19(10-6-11-19)26-18-21-20-16(23(18)2)14-9-12-25-13-14;1-12(23)22-15(13-7-10-25-11-13)20-21-17(22)26-18(8-9-18)16(24)19-14-5-3-2-4-6-14;1-11(24)23-14(12-8-9-26-10-12)20-21-16(23)27-17(18,19)15(25)22(2)13-6-4-3-5-7-13;1-21(12-6-4-3-5-7-12)14(23)16(17,18)25-15-20-19-13(22(15)2)11-8-9-24-10-11;1-21-12(10-7-8-23-9-10)19-20-14(21)24-15(16,17)13(22)18-11-5-3-2-4-6-11;16-15(17,14(21)18-11-4-2-1-3-5-11)23-13-8-12(19-20-13)10-6-7-22-9-10/h5-11,13H,12H2,1-4H3;4-9,12-13H,10-11H2,1-3H3,(H,22,26);1-12,14H,13,15H2,(H,22,26);3-5,7-9,12-13H,6,10-11H2,1-2H3;2-7,10-11H,8-9H2,1H3,(H,19,24);3-10H,1-2H3;3-10H,1-2H3;2-9H,1H3,(H,18,22);1-7,9H,8H2,(H,18,21)
InChIKeyIVAPZXROXIVLNA-UHFFFAOYSA-N
XLogP39.41
TPSA574.65 Ų
H-Bond Donors5
H-Bond Acceptors58
Rotatable Bonds47
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003589.40
LogP ≤ 539.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1058

Analyze 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[[5-[5-[4-[[2-[[5-[5-[4-[[2-cyclopropyl-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]thiophen-2-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-fluoroacetyl]amino]phenyl]thiophen-2-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylcyclopropane-1-carboxamide
CID 123326778
N-[4-[4-[5-[2-[4-[4-[5-(2-anilino-1-cyclopropyl-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]thiophen-2-yl]anilino]-1-fluoro-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenyl]-1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]cyclopropane-1-carboxamide
CID 123391550
tert-butyl 3-[2-[4-[5-[5-[3-[4-[5-[5-(1-anilino-1-oxopentan-2-yl)sulfanyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4-triazol-3-yl]thiophen-2-yl]anilino]-1,1,1-trifluoro-3-oxopropan-2-yl]sulfanyl-4-benzyl-1,2,4-triazol-3-yl]thiophen-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole-4-carboxylate
CID 123581508
tert-butyl 3-[5-[4-[[2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoropropanoyl]amino]phenyl]thiophen-3-yl]-5-[2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-oxoethyl]sulfanyl-1,2,4-triazole-4-carboxylate
CID 123610168
2-[[4-[difluoro(phenyl)methyl]-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;ethane;molecular hydrogen;N-phenyl-2-[[4-(1-phenylethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 144473310
1-[[5-[5-[4-[[2-[[5-[5-[4-[[2-cyclopropyl-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]thiophen-2-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-fluoroacetyl]amino]phenyl]thiophen-2-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclopropane-1-carboxamide
CID 146616422
N-[3-[5-[5-(2-anilino-2-oxoethyl)sulfanyl-4-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-3-yl]thiophen-2-yl]phenyl]-2-[[5-[5-[4-[[2-[[4-[difluoro(phenyl)methyl]-5-(2,3-dihydrothiophen-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]thiophen-2-yl]-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 146616425
N-[3-[4-[5-(2-anilino-2-oxoethyl)sulfanyl-4-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-3-yl]thiophen-2-yl]phenyl]-2-[[4-(1-cyclohexa-2,4-dien-1-ylethyl)-5-[5-[4-[[2-[[4-[difluoro(phenyl)methyl]-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]thiophen-3-yl]-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 146616742
2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;2,2-difluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methoxy-N-phenylpropanamide;2-fluoro-N-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-fluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]acetamide;3,3,3-trifluoro-N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide
CID 157211973
2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3,3-trifluoro-N-phenylpropanamide;tert-butyl 3-[2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-oxoethyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide
CID 157239347
2-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;1-[(4-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;tert-butyl 3-(2-anilino-2-oxoethyl)sulfanyl-5-phenyl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-phenyl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-phenyl-1,2,4-triazole-4-carboxylate;N-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-phenyl-2-[(5-phenyl-4H-pyrazol-3-yl)sulfanyl]propanamide
CID 157279601
2-[(4-tert-butyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[(4-ethenyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[4-(4-fluorophenyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methoxyethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-(2-methylsulfanylethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[5-thiophen-3-yl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[5-thiophen-3-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 157730911

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The IUPAC name of 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide (CID 158813993) is 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide is CC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccsc1.CC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.CC(C)(C)OC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccsc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccsc2)n1C(=O)CC(C)(C)C)c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccsc2)n1C)c1ccccc1.CN(C(=O)C1(Sc2nnc(-c3ccsc3)n2C)CCC1)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccsc1.O=C(CSc1nnc(-c2ccsc2)n1Cc1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccsc2)C1.
What is the InChIKey of 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The InChIKey is IVAPZXROXIVLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2S2.C21H22N4O3S2.C21H18N4OS2.C19H20N4OS2.C18H16N4O2S2.C17H14F2N4O2S2.C16H14F2N4OS2.C15H12F2N4OS2.C15H11F2N3OS2/c1-20(2,3)12-16(28)27-17(14-10-11-30-13-14)24-25-19(27)31-21(22,23)18(29)26(4)15-8-6-5-7-9-15;1-20(2,3)28-19(27)25-16(14-9-12-29-13-14)23-24-18(25)30-21(10-11-21)17(26)22-15-7-5-4-6-8-15;26-19(22-18-9-5-2-6-10-18)15-28-21-24-23-20(17-11-12-27-14-17)25(21)13-16-7-3-1-4-8-16;1-22(15-7-4-3-5-8-15)17(24)19(10-6-11-19)26-18-21-20-16(23(18)2)14-9-12-25-13-14;1-12(23)22-15(13-7-10-25-11-13)20-21-17(22)26-18(8-9-18)16(24)19-14-5-3-2-4-6-14;1-11(24)23-14(12-8-9-26-10-12)20-21-16(23)27-17(18,19)15(25)22(2)13-6-4-3-5-7-13;1-21(12-6-4-3-5-7-12)14(23)16(17,18)25-15-20-19-13(22(15)2)11-8-9-24-10-11;1-21-12(10-7-8-23-9-10)19-20-14(21)24-15(16,17)13(22)18-11-5-3-2-4-6-11;16-15(17,14(21)18-11-4-2-1-3-5-11)23-13-8-12(19-20-13)10-6-7-22-9-10/h5-11,13H,12H2,1-4H3;4-9,12-13H,10-11H2,1-3H3,(H,22,26);1-12,14H,13,15H2,(H,22,26);3-5,7-9,12-13H,6,10-11H2,1-2H3;2-7,10-11H,8-9H2,1H3,(H,19,24);3-10H,1-2H3;3-10H,1-2H3;2-9H,1H3,(H,18,22);1-7,9H,8H2,(H,18,21).
What are the key properties of 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide has a molecular weight of 3589.40 g/mol, XLogP of 39.41, 47 rotatable bonds, 5 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-thiophen-3-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[4-(3,3-dimethylbutanoyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;N-methyl-1-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 158813993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).