(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H29N3O4S — CID 29449318

IUPAC(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1=O
InChIInChI=1S/C24H29N3O4S/c1-17-7-5-6-10-22(17)27-16-18(15-23(27)28)24(29)25-19-11-13-21(14-12-19)32(30,31)26-20-8-3-2-4-9-20/h5-7,10-14,18,20,26H,2-4,8-9,15-16H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyVHRSUXJGVDTXDQ-GOSISDBHSA-N
MW455.58 g/mol
LogP3.60
Rot. Bonds6

About (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 29449318) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID29449318
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1=O
InChIInChI=1S/C24H29N3O4S/c1-17-7-5-6-10-22(17)27-16-18(15-23(27)28)24(29)25-19-11-13-21(14-12-19)32(30,31)26-20-8-3-2-4-9-20/h5-7,10-14,18,20,26H,2-4,8-9,15-16H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyVHRSUXJGVDTXDQ-GOSISDBHSA-N
XLogP3.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1249284
(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40963997
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080793
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6494535
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080804
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152171
(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 8623706
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 124529053

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 29449318) is (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1=O.
What is the InChIKey of (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VHRSUXJGVDTXDQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-7-5-6-10-22(17)27-16-18(15-23(27)28)24(29)25-19-11-13-21(14-12-19)32(30,31)26-20-8-3-2-4-9-20/h5-7,10-14,18,20,26H,2-4,8-9,15-16H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29449318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).