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

C145H145F2N27O17S7 — CID 157279601

About 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

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 (PubChem CID 157279601) has the molecular formula C145H145F2N27O17S7 and a molecular weight of 2800.39 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157279601
• Molecular Formula: C145H145F2N27O17S7
• Molecular Weight: 2800.39 g/mol
• Exact Mass: 2797.93
• IUPAC Name: 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
• SMILES: C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccc1.CC(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(C)(C)OC(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(SC1=NN=C(c2ccccc2)C1)C(=O)Nc1ccccc1.CC(Sc1nnc(-c2ccccc2)n1C(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccc2)n1C(=O)OC(C)(C)C)c1ccccc1
• InChI: InChI=1S/C27H32N4O5S.C22H22F2N4O3S.C21H22N4O3S.C20H18N4O2S.C19H18N4OS.C18H16N4O2S.C18H17N3OS/c1-18(22(32)30(20-16-12-9-13-17-20)24(33)35-26(2,3)4)37-23-29-28-21(19-14-10-8-11-15-19)31(23)25(34)36-27(5,6)7;1-21(2,3)31-20(30)28-17(15-11-7-5-8-12-15)25-26-19(28)32-22(23,24)18(29)27(4)16-13-9-6-10-14-16;1-21(2,3)28-20(27)25-18(15-10-6-4-7-11-15)23-24-19(25)29-14-17(26)22-16-12-8-5-9-13-16;1-14(25)24-17(15-8-4-2-5-9-15)22-23-19(24)27-20(12-13-20)18(26)21-16-10-6-3-7-11-16;1-2-13-23-18(15-9-5-3-6-10-15)21-22-19(23)25-14-17(24)20-16-11-7-4-8-12-16;1-13(23)22-17(14-8-4-2-5-9-14)20-21-18(22)25-12-16(24)19-15-10-6-3-7-11-15;1-13(18(22)19-15-10-6-3-7-11-15)23-17-12-16(20-21-17)14-8-4-2-5-9-14/h8-18H,1-7H3;5-14H,1-4H3;4-13H,14H2,1-3H3,(H,22,26);2-11H,12-13H2,1H3,(H,21,26);2-12H,1,13-14H2,(H,20,24);2-11H,12H2,1H3,(H,19,24);2-11,13H,12H2,1H3,(H,19,22)
• InChIKey: AZMVGTHFPYBTNJ-UHFFFAOYSA-N
• XLogP: 30.73
• TPSA: 534.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 36
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.39
LogP ≤ 5	30.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(=O)n1c(SC2(C(=O)Nc3ccccc3)CC2)nnc1-c1ccccc1.CC(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(C)(C)OC(=O)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1.CC(SC1=NN=C(c2ccccc2)C1)C(=O)Nc1ccccc1.CC(Sc1nnc(-c2ccccc2)n1C(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1.CN(C(=O)C(F)(F)Sc1nnc(-c2ccccc2)n1C(=O)OC(C)(C)C)c1ccccc1.

What is the InChIKey of 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?

The InChIKey is AZMVGTHFPYBTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S.C22H22F2N4O3S.C21H22N4O3S.C20H18N4O2S.C19H18N4OS.C18H16N4O2S.C18H17N3OS/c1-18(22(32)30(20-16-12-9-13-17-20)24(33)35-26(2,3)4)37-23-29-28-21(19-14-10-8-11-15-19)31(23)25(34)36-27(5,6)7;1-21(2,3)31-20(30)28-17(15-11-7-5-8-12-15)25-26-19(28)32-22(23,24)18(29)27(4)16-13-9-6-10-14-16;1-21(2,3)28-20(27)25-18(15-10-6-4-7-11-15)23-24-19(25)29-14-17(26)22-16-12-8-5-9-13-16;1-14(25)24-17(15-8-4-2-5-9-15)22-23-19(24)27-20(12-13-20)18(26)21-16-10-6-3-7-11-16;1-2-13-23-18(15-9-5-3-6-10-15)21-22-19(23)25-14-17(24)20-16-11-7-4-8-12-16;1-13(23)22-17(14-8-4-2-5-9-14)20-21-18(22)25-12-16(24)19-15-10-6-3-7-11-15;1-13(18(22)19-15-10-6-3-7-11-15)23-17-12-16(20-21-17)14-8-4-2-5-9-14/h8-18H,1-7H3;5-14H,1-4H3;4-13H,14H2,1-3H3,(H,22,26);2-11H,12-13H2,1H3,(H,21,26);2-12H,1,13-14H2,(H,20,24);2-11H,12H2,1H3,(H,19,24);2-11,13H,12H2,1H3,(H,19,22).

What are the key properties of 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?

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 has a molecular weight of 2800.39 g/mol, XLogP of 30.73, 36 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157279601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).