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

C171H156F10N44O15S9 — CID 158750941

IUPAC2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide
SMILESCC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccccn1.CC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccn1.CC(C)(C)OC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccn1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccn2)n1C(=O)OC(C)(C)C)c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccn2)n1C)c1ccccc1.CN(C(=O)C1(Sc2nnc(-c3ccccn3)n2C)CCC1)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccccn1.O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccccn2)C1
InChIInChI=1S/C22H23N5O3S.C22H19N5OS.C21H21F2N5O3S.C20H21N5OS.C19H17N5O2S.C18H15F2N5O2S.C17H15F2N5OS.C16H13F2N5OS.C16H12F2N4OS/c1-21(2,3)30-20(29)27-17(16-11-7-8-14-23-16)25-26-19(27)31-22(12-13-22)18(28)24-15-9-5-4-6-10-15;28-20(24-18-11-5-2-6-12-18)16-29-22-26-25-21(19-13-7-8-14-23-19)27(22)15-17-9-3-1-4-10-17;1-20(2,3)31-19(30)28-16(15-12-8-9-13-24-15)25-26-18(28)32-21(22,23)17(29)27(4)14-10-6-5-7-11-14;1-24(15-9-4-3-5-10-15)18(26)20(12-8-13-20)27-19-23-22-17(25(19)2)16-11-6-7-14-21-16;1-13(25)24-16(15-9-5-6-12-20-15)22-23-18(24)27-19(10-11-19)17(26)21-14-7-3-2-4-8-14;1-12(26)25-15(14-10-6-7-11-21-14)22-23-17(25)28-18(19,20)16(27)24(2)13-8-4-3-5-9-13;1-23(12-8-4-3-5-9-12)15(25)17(18,19)26-16-22-21-14(24(16)2)13-10-6-7-11-20-13;1-23-13(12-9-5-6-10-19-12)21-22-15(23)25-16(17,18)14(24)20-11-7-3-2-4-8-11;17-16(18,15(23)20-11-6-2-1-3-7-11)24-14-10-13(21-22-14)12-8-4-5-9-19-12/h4-11,14H,12-13H2,1-3H3,(H,24,28);1-14H,15-16H2,(H,24,28);5-13H,1-4H3;3-7,9-11,14H,8,12-13H2,1-2H3;2-9,12H,10-11H2,1H3,(H,21,26);3-11H,1-2H3;3-11H,1-2H3;2-10H,1H3,(H,20,24);1-9H,10H2,(H,20,23)
InChIKeyINLXPJJWRJWJPP-UHFFFAOYSA-N
MW3546.00 g/mol
LogP33.12
Rot. Bonds46

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

2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide (PubChem CID 158750941) has the molecular formula C171H156F10N44O15S9 and a molecular weight of 3546.00 g/mol. Its IUPAC name is 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide
PubChem CID158750941
Molecular FormulaC171H156F10N44O15S9
Molecular Weight3546.00 g/mol
Exact Mass3543.01
IUPAC Name2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide
SMILESCC(=O)n1c(SC(F)(F)C(=O)N(C)c2ccccc2)nnc1-c1ccccn1.CC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccn1.CC(C)(C)OC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccn1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccn2)n1C(=O)OC(C)(C)C)c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccn2)n1C)c1ccccc1.CN(C(=O)C1(Sc2nnc(-c3ccccn3)n2C)CCC1)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccccn1.O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccccn2)C1
InChIInChI=1S/C22H23N5O3S.C22H19N5OS.C21H21F2N5O3S.C20H21N5OS.C19H17N5O2S.C18H15F2N5O2S.C17H15F2N5OS.C16H13F2N5OS.C16H12F2N4OS/c1-21(2,3)30-20(29)27-17(16-11-7-8-14-23-16)25-26-19(27)31-22(12-13-22)18(28)24-15-9-5-4-6-10-15;28-20(24-18-11-5-2-6-12-18)16-29-22-26-25-21(19-13-7-8-14-23-19)27(22)15-17-9-3-1-4-10-17;1-20(2,3)31-19(30)28-16(15-12-8-9-13-24-15)25-26-18(28)32-21(22,23)17(29)27(4)14-10-6-5-7-11-14;1-24(15-9-4-3-5-10-15)18(26)20(12-8-13-20)27-19-23-22-17(25(19)2)16-11-6-7-14-21-16;1-13(25)24-16(15-9-5-6-12-20-15)22-23-18(24)27-19(10-11-19)17(26)21-14-7-3-2-4-8-14;1-12(26)25-15(14-10-6-7-11-21-14)22-23-17(25)28-18(19,20)16(27)24(2)13-8-4-3-5-9-13;1-23(12-8-4-3-5-9-12)15(25)17(18,19)26-16-22-21-14(24(16)2)13-10-6-7-11-20-13;1-23-13(12-9-5-6-10-19-12)21-22-15(23)25-16(17,18)14(24)20-11-7-3-2-4-8-11;17-16(18,15(23)20-11-6-2-1-3-7-11)24-14-10-13(21-22-14)12-8-4-5-9-19-12/h4-11,14H,12-13H2,1-3H3,(H,24,28);1-14H,15-16H2,(H,24,28);5-13H,1-4H3;3-7,9-11,14H,8,12-13H2,1-2H3;2-9,12H,10-11H2,1H3,(H,21,26);3-11H,1-2H3;3-11H,1-2H3;2-10H,1H3,(H,20,24);1-9H,10H2,(H,20,23)
InChIKeyINLXPJJWRJWJPP-UHFFFAOYSA-N
XLogP33.12
TPSA699.89 Ų
H-Bond Donors5
H-Bond Acceptors59
Rotatable Bonds46
Heavy Atoms249
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003546.00
LogP ≤ 533.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1059

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The IUPAC name of 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide (CID 158750941) is 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-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-c1ccccn1.CC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccn1.CC(C)(C)OC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccn1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccn2)n1C(=O)OC(C)(C)C)c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccn2)n1C)c1ccccc1.CN(C(=O)C1(Sc2nnc(-c3ccccn3)n2C)CCC1)c1ccccc1.Cn1c(SC(F)(F)C(=O)Nc2ccccc2)nnc1-c1ccccn1.O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)Nc1ccccc1.O=C(Nc1ccccc1)C(F)(F)SC1=NN=C(c2ccccn2)C1.
What is the InChIKey of 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
The InChIKey is INLXPJJWRJWJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S.C22H19N5OS.C21H21F2N5O3S.C20H21N5OS.C19H17N5O2S.C18H15F2N5O2S.C17H15F2N5OS.C16H13F2N5OS.C16H12F2N4OS/c1-21(2,3)30-20(29)27-17(16-11-7-8-14-23-16)25-26-19(27)31-22(12-13-22)18(28)24-15-9-5-4-6-10-15;28-20(24-18-11-5-2-6-12-18)16-29-22-26-25-21(19-13-7-8-14-23-19)27(22)15-17-9-3-1-4-10-17;1-20(2,3)31-19(30)28-16(15-12-8-9-13-24-15)25-26-18(28)32-21(22,23)17(29)27(4)14-10-6-5-7-11-14;1-24(15-9-4-3-5-10-15)18(26)20(12-8-13-20)27-19-23-22-17(25(19)2)16-11-6-7-14-21-16;1-13(25)24-16(15-9-5-6-12-20-15)22-23-18(24)27-19(10-11-19)17(26)21-14-7-3-2-4-8-14;1-12(26)25-15(14-10-6-7-11-21-14)22-23-17(25)28-18(19,20)16(27)24(2)13-8-4-3-5-9-13;1-23(12-8-4-3-5-9-12)15(25)17(18,19)26-16-22-21-14(24(16)2)13-10-6-7-11-20-13;1-23-13(12-9-5-6-10-19-12)21-22-15(23)25-16(17,18)14(24)20-11-7-3-2-4-8-11;17-16(18,15(23)20-11-6-2-1-3-7-11)24-14-10-13(21-22-14)12-8-4-5-9-19-12/h4-11,14H,12-13H2,1-3H3,(H,24,28);1-14H,15-16H2,(H,24,28);5-13H,1-4H3;3-7,9-11,14H,8,12-13H2,1-2H3;2-9,12H,10-11H2,1H3,(H,21,26);3-11H,1-2H3;3-11H,1-2H3;2-10H,1H3,(H,20,24);1-9H,10H2,(H,20,23).
What are the key properties of 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide?
2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide has a molecular weight of 3546.00 g/mol, XLogP of 33.12, 46 rotatable bonds, 5 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2,2-difluoro-N-methyl-N-phenylacetamide;1-[(4-acetyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide;2-[(4-benzyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;tert-butyl 3-[1,1-difluoro-2-(N-methylanilino)-2-oxoethyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;tert-butyl 3-[1-(phenylcarbamoyl)cyclopropyl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2,2-difluoro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2,2-difluoro-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;N-methyl-1-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 158750941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).