(2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide

C133H164F2N14O24S8 — CID 157240022

About (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide

(2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide (PubChem CID 157240022) has the molecular formula C133H164F2N14O24S8 and a molecular weight of 2637.38 g/mol. Its IUPAC name is (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide
• PubChem CID: 157240022
• Molecular Formula: C133H164F2N14O24S8
• Molecular Weight: 2637.38 g/mol
• Exact Mass: 2634.98
• IUPAC Name: (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide
• SMILES: CCCCCCOc1ccc([C@]2(C)CC(c3ccn(C(C)C)c3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1.CCCCCc1ccc([C@]2(C)CC(c3ccn(CC4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3ccc(C4CC4)s3)=C(C(=O)NS(C)(=O)=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccc(C4CC4)s3)=C(C(=O)NS(C)(=O)=O)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3ncc(C4CC4)s3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)c(F)c1
• InChI: InChI=1S/C29H39N3O5S.C28H36N4O4S.C26H30FN3O5S2.C25H29FN2O5S2.C25H30N2O5S2/c1-5-6-7-8-17-37-23-11-9-22(10-12-23)29(4)18-25(21-15-16-32(19-21)20(2)3)26(27(33)30-29)28(34)31-38(35,36)24-13-14-24;1-3-4-5-6-19-9-11-21(12-10-19)28(2)17-23(24-15-16-32(30-24)18-20-7-8-20)25(26(33)29-28)27(34)31-37(35,36)22-13-14-22;1-3-4-11-35-16-7-10-19(20(27)12-16)26(2)13-18(25-28-14-21(36-25)15-5-6-15)22(23(31)29-26)24(32)30-37(33,34)17-8-9-17;1-4-5-12-33-16-8-9-18(19(26)13-16)25(2)14-17(21-11-10-20(34-21)15-6-7-15)22(23(29)27-25)24(30)28-35(3,31)32;1-4-5-14-32-18-10-8-17(9-11-18)25(2)15-19(21-13-12-20(33-21)16-6-7-16)22(23(28)26-25)24(29)27-34(3,30)31/h9-12,15-16,19-20,24H,5-8,13-14,17-18H2,1-4H3,(H,30,33)(H,31,34);9-12,15-16,20,22H,3-8,13-14,17-18H2,1-2H3,(H,29,33)(H,31,34);7,10,12,14-15,17H,3-6,8-9,11,13H2,1-2H3,(H,29,31)(H,30,32);8-11,13,15H,4-7,12,14H2,1-3H3,(H,27,29)(H,28,30);8-13,16H,4-7,14-15H2,1-3H3,(H,26,28)(H,27,29)/t29-;28-;26-;2*25-/m00000/s1
• InChIKey: AVCFQCAKTXKOKK-DPJJVIRESA-N
• XLogP: 21.06
• TPSA: 534.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 51
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.38
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide?

The IUPAC name of (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide (CID 157240022) is (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide.

What is the SMILES notation for (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide?

The canonical SMILES for (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide is CCCCCCOc1ccc([C@]2(C)CC(c3ccn(C(C)C)c3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1.CCCCCc1ccc([C@]2(C)CC(c3ccn(CC4CC4)n3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3ccc(C4CC4)s3)=C(C(=O)NS(C)(=O)=O)C(=O)N2)c(F)c1.CCCCOc1ccc([C@]2(C)CC(c3ccc(C4CC4)s3)=C(C(=O)NS(C)(=O)=O)C(=O)N2)cc1.CCCCOc1ccc([C@]2(C)CC(c3ncc(C4CC4)s3)=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N2)c(F)c1.

What is the InChIKey of (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide?

The InChIKey is AVCFQCAKTXKOKK-DPJJVIRESA-N. The full InChI is InChI=1S/C29H39N3O5S.C28H36N4O4S.C26H30FN3O5S2.C25H29FN2O5S2.C25H30N2O5S2/c1-5-6-7-8-17-37-23-11-9-22(10-12-23)29(4)18-25(21-15-16-32(19-21)20(2)3)26(27(33)30-29)28(34)31-38(35,36)24-13-14-24;1-3-4-5-6-19-9-11-21(12-10-19)28(2)17-23(24-15-16-32(30-24)18-20-7-8-20)25(26(33)29-28)27(34)31-37(35,36)22-13-14-22;1-3-4-11-35-16-7-10-19(20(27)12-16)26(2)13-18(25-28-14-21(36-25)15-5-6-15)22(23(31)29-26)24(32)30-37(33,34)17-8-9-17;1-4-5-12-33-16-8-9-18(19(26)13-16)25(2)14-17(21-11-10-20(34-21)15-6-7-15)22(23(29)27-25)24(30)28-35(3,31)32;1-4-5-14-32-18-10-8-17(9-11-18)25(2)15-19(21-13-12-20(33-21)16-6-7-16)22(23(28)26-25)24(29)27-34(3,30)31/h9-12,15-16,19-20,24H,5-8,13-14,17-18H2,1-4H3,(H,30,33)(H,31,34);9-12,15-16,20,22H,3-8,13-14,17-18H2,1-2H3,(H,29,33)(H,31,34);7,10,12,14-15,17H,3-6,8-9,11,13H2,1-2H3,(H,29,31)(H,30,32);8-11,13,15H,4-7,12,14H2,1-3H3,(H,27,29)(H,28,30);8-13,16H,4-7,14-15H2,1-3H3,(H,26,28)(H,27,29)/t29-;28-;26-;2*25-/m00000/s1.

What are the key properties of (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide?

(2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide has a molecular weight of 2637.38 g/mol, XLogP of 21.06, 51 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-butoxy-2-fluorophenyl)-N-cyclopropylsulfonyl-4-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxy-2-fluorophenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-2-(4-butoxyphenyl)-4-(5-cyclopropylthiophen-2-yl)-2-methyl-N-methylsulfonyl-6-oxo-1,3-dihydropyridine-5-carboxamide;(2S)-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-cyclopropylsulfonyl-2-methyl-6-oxo-2-(4-pentylphenyl)-1,3-dihydropyridine-5-carboxamide;(2S)-N-cyclopropylsulfonyl-2-(4-hexoxyphenyl)-2-methyl-6-oxo-4-(1-propan-2-ylpyrrol-3-yl)-1,3-dihydropyridine-5-carboxamide is sourced from PubChem (CID 157240022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).