N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

C167H196F2N32O8S16 — CID 159839508

IUPACN-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCCCC(Sc1nnc(-c2ccsc2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1
InChIInChI=1S/C23H28N4OS2.C22H26N4OS2.C22H28N4OS2.C21H24N4OS2.C21H26N4OS2.C20H24N4OS2.C19H20F2N4OS2.C19H20N4OS2/c1-4-27-20(18-11-14-29-15-18)25-26-22(27)30-23(12-5-6-13-23)21(28)24-19-9-7-17(8-10-19)16(2)3;1-5-26-19(17-8-11-28-13-17)24-25-21(26)29-22(9-10-22)20(27)23-18-7-6-16(14(2)3)12-15(18)4;1-5-7-19(21(27)23-18-10-8-16(9-11-18)15(3)4)29-22-25-24-20(26(22)6-2)17-12-13-28-14-17;1-4-25-18(16-9-12-27-13-16)23-24-20(25)28-21(10-11-21)19(26)22-17-7-5-15(6-8-17)14(2)3;1-6-25-18(16-11-12-27-13-16)23-24-20(25)28-21(4,5)19(26)22-17-9-7-15(8-10-17)14(2)3;1-5-24-18(16-10-11-26-12-16)22-23-20(24)27-14(4)19(25)21-17-8-6-15(7-9-17)13(2)3;1-4-25-16(14-9-10-27-11-14)23-24-18(25)28-19(20,21)17(26)22-15-7-5-13(6-8-15)12(2)3;1-2-23-18(15-9-10-25-11-15)21-22-19(23)26-12-17(24)20-16-7-5-14(6-8-16)13-3-4-13/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,24,28);6-8,11-14H,5,9-10H2,1-4H3,(H,23,27);8-15,19H,5-7H2,1-4H3,(H,23,27);5-9,12-14H,4,10-11H2,1-3H3,(H,22,26);7-14H,6H2,1-5H3,(H,22,26);6-14H,5H2,1-4H3,(H,21,25);5-12H,4H2,1-3H3,(H,22,26);5-11,13H,2-4,12H2,1H3,(H,20,24)
InChIKeyNOMRITLNQFKUPK-UHFFFAOYSA-N
MW3330.69 g/mol
LogP44.41
Rot. Bonds58

About N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 159839508) has the molecular formula C167H196F2N32O8S16 and a molecular weight of 3330.69 g/mol. Its IUPAC name is N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID159839508
Molecular FormulaC167H196F2N32O8S16
Molecular Weight3330.69 g/mol
Exact Mass3327.14
IUPAC NameN-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCCCC(Sc1nnc(-c2ccsc2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1
InChIInChI=1S/C23H28N4OS2.C22H26N4OS2.C22H28N4OS2.C21H24N4OS2.C21H26N4OS2.C20H24N4OS2.C19H20F2N4OS2.C19H20N4OS2/c1-4-27-20(18-11-14-29-15-18)25-26-22(27)30-23(12-5-6-13-23)21(28)24-19-9-7-17(8-10-19)16(2)3;1-5-26-19(17-8-11-28-13-17)24-25-21(26)29-22(9-10-22)20(27)23-18-7-6-16(14(2)3)12-15(18)4;1-5-7-19(21(27)23-18-10-8-16(9-11-18)15(3)4)29-22-25-24-20(26(22)6-2)17-12-13-28-14-17;1-4-25-18(16-9-12-27-13-16)23-24-20(25)28-21(10-11-21)19(26)22-17-7-5-15(6-8-17)14(2)3;1-6-25-18(16-11-12-27-13-16)23-24-20(25)28-21(4,5)19(26)22-17-9-7-15(8-10-17)14(2)3;1-5-24-18(16-10-11-26-12-16)22-23-20(24)27-14(4)19(25)21-17-8-6-15(7-9-17)13(2)3;1-4-25-16(14-9-10-27-11-14)23-24-18(25)28-19(20,21)17(26)22-15-7-5-13(6-8-15)12(2)3;1-2-23-18(15-9-10-25-11-15)21-22-19(23)26-12-17(24)20-16-7-5-14(6-8-16)13-3-4-13/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,24,28);6-8,11-14H,5,9-10H2,1-4H3,(H,23,27);8-15,19H,5-7H2,1-4H3,(H,23,27);5-9,12-14H,4,10-11H2,1-3H3,(H,22,26);7-14H,6H2,1-5H3,(H,22,26);6-14H,5H2,1-4H3,(H,21,25);5-12H,4H2,1-3H3,(H,22,26);5-11,13H,2-4,12H2,1H3,(H,20,24)
InChIKeyNOMRITLNQFKUPK-UHFFFAOYSA-N
XLogP44.41
TPSA478.48 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds58
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003330.69
LogP ≤ 544.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Analyze N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-[5-[4-[[2-[[5-[5-[4-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]thiophen-2-yl]-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]thiophen-2-yl]-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-fluoro-N-phenylacetamide
CID 123145041
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-[5-[5-(2-anilino-2-oxoethyl)sulfanyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]thiophen-2-yl]phenyl]-2-[[4-[(4-fluorophenyl)methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 123350667
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
N-[4-[4-[5-[2-[4-[4-[5-(2-anilino-2-oxoethyl)sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]thiophen-2-yl]anilino]-2-oxoethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenyl]-2-fluoro-2-[[4-(1-phenylethyl)-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 123585867
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
N-[4-[4-[5-(2-anilino-2-oxoethyl)sulfanyl-4-(1-phenylethyl)-1,2,4-triazol-3-yl]thiophen-2-yl]phenyl]-2-[[4-[(4-fluorophenyl)methyl]-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 123624337
2-[[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]-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 123633812
2-[[4-(2-methoxyethyl)-5-[5-[4-[[2-[[4-(2-methylsulfanylethyl)-5-[5-[4-[[2-[[5-thiophen-2-yl-4-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]thiophen-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]thiophen-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 123818402
2-[[5-[5-[4-[[2-[[4-[difluoro(phenyl)methyl]-5-thiophen-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]-N-phenylpropanamide
CID 123932199
3-[5-[[3-(2-anilino-2-oxoethyl)sulfanyl-5-thiophen-3-yl-1,2,4-triazol-4-yl]methyl]-2-fluorophenyl]-1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopentane-1-carboxamide
CID 126626229

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide (CID 159839508) is N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is CCCC(Sc1nnc(-c2ccsc2)n1CC)C(=O)Nc1ccc(C(C)C)cc1.CCn1c(SC(C)(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(C)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC(F)(F)C(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3)CCCC2)nnc1-c1ccsc1.CCn1c(SC2(C(=O)Nc3ccc(C(C)C)cc3C)CC2)nnc1-c1ccsc1.CCn1c(SCC(=O)Nc2ccc(C3CC3)cc2)nnc1-c1ccsc1.
What is the InChIKey of N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is NOMRITLNQFKUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS2.C22H26N4OS2.C22H28N4OS2.C21H24N4OS2.C21H26N4OS2.C20H24N4OS2.C19H20F2N4OS2.C19H20N4OS2/c1-4-27-20(18-11-14-29-15-18)25-26-22(27)30-23(12-5-6-13-23)21(28)24-19-9-7-17(8-10-19)16(2)3;1-5-26-19(17-8-11-28-13-17)24-25-21(26)29-22(9-10-22)20(27)23-18-7-6-16(14(2)3)12-15(18)4;1-5-7-19(21(27)23-18-10-8-16(9-11-18)15(3)4)29-22-25-24-20(26(22)6-2)17-12-13-28-14-17;1-4-25-18(16-9-12-27-13-16)23-24-20(25)28-21(10-11-21)19(26)22-17-7-5-15(6-8-17)14(2)3;1-6-25-18(16-11-12-27-13-16)23-24-20(25)28-21(4,5)19(26)22-17-9-7-15(8-10-17)14(2)3;1-5-24-18(16-10-11-26-12-16)22-23-20(24)27-14(4)19(25)21-17-8-6-15(7-9-17)13(2)3;1-4-25-16(14-9-10-27-11-14)23-24-18(25)28-19(20,21)17(26)22-15-7-5-13(6-8-15)12(2)3;1-2-23-18(15-9-10-25-11-15)21-22-19(23)26-12-17(24)20-16-7-5-14(6-8-16)13-3-4-13/h7-11,14-16H,4-6,12-13H2,1-3H3,(H,24,28);6-8,11-14H,5,9-10H2,1-4H3,(H,23,27);8-15,19H,5-7H2,1-4H3,(H,23,27);5-9,12-14H,4,10-11H2,1-3H3,(H,22,26);7-14H,6H2,1-5H3,(H,22,26);6-14H,5H2,1-4H3,(H,21,25);5-12H,4H2,1-3H3,(H,22,26);5-11,13H,2-4,12H2,1H3,(H,20,24).
What are the key properties of N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide?
N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 3330.69 g/mol, XLogP of 44.41, 58 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropylphenyl)-2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-(4-propan-2-ylphenyl)acetamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-N-(4-propan-2-ylphenyl)propanamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopentane-1-carboxamide;1-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)pentanamide;2-[(4-ethyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 159839508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).