(4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide

C40H39Cl2F8N9O6S — CID 167674838

About (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 167674838) has the molecular formula C40H39Cl2F8N9O6S and a molecular weight of 996.77 g/mol. Its IUPAC name is (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 167674838
• Molecular Formula: C40H39Cl2F8N9O6S
• Molecular Weight: 996.77 g/mol
• Exact Mass: 995.20
• IUPAC Name: (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
• SMILES: Cc1cc(C(F)(F)F)cc(N2C(=O)N(CCS(=O)(=O)N(C)C)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.Cc1cc(C(F)(F)F)cc(N2C(=O)NC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
• InChI: InChI=1S/C22H24ClF4N5O4S.C18H15ClF4N4O2/c1-13-9-14(22(25,26)27)10-19(28-13)32-18(12-31(21(32)34)7-8-37(35,36)29(2)3)20(33)30(4)15-5-6-17(24)16(23)11-15;1-9-5-10(18(21,22)23)6-15(25-9)27-14(8-24-17(27)29)16(28)26(2)11-3-4-13(20)12(19)7-11/h5-6,9-11,18H,7-8,12H2,1-4H3;3-7,14H,8H2,1-2H3,(H,24,29)/t18-;14-/m00/s1
• InChIKey: UQRHIIXWRZLZNL-WSHPSQHPSA-N
• XLogP: 7.13
• TPSA: 159.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.77
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide (CID 167674838) is (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide is Cc1cc(C(F)(F)F)cc(N2C(=O)N(CCS(=O)(=O)N(C)C)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.Cc1cc(C(F)(F)F)cc(N2C(=O)NC[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.

What is the InChIKey of (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is UQRHIIXWRZLZNL-WSHPSQHPSA-N. The full InChI is InChI=1S/C22H24ClF4N5O4S.C18H15ClF4N4O2/c1-13-9-14(22(25,26)27)10-19(28-13)32-18(12-31(21(32)34)7-8-37(35,36)29(2)3)20(33)30(4)15-5-6-17(24)16(23)11-15;1-9-5-10(18(21,22)23)6-15(25-9)27-14(8-24-17(27)29)16(28)26(2)11-3-4-13(20)12(19)7-11/h5-6,9-11,18H,7-8,12H2,1-4H3;3-7,14H,8H2,1-2H3,(H,24,29)/t18-;14-/m00/s1.

What are the key properties of (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

(4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 996.77 g/mol, XLogP of 7.13, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 167674838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).