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

C24H29N3O4S — CID 1249284

IUPAC(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2=O)cc1
InChIInChI=1S/C24H29N3O4S/c1-17-7-11-21(12-8-17)27-16-18(15-23(27)28)24(29)25-19-9-13-22(14-10-19)32(30,31)26-20-5-3-2-4-6-20/h7-14,18,20,26H,2-6,15-16H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyQOAZCHSLMWAULY-GOSISDBHSA-N
MW455.58 g/mol
LogP3.60
Rot. Bonds6

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

(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1249284) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1249284
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2=O)cc1
InChIInChI=1S/C24H29N3O4S/c1-17-7-11-21(12-8-17)27-16-18(15-23(27)28)24(29)25-19-9-13-22(14-10-19)32(30,31)26-20-5-3-2-4-6-20/h7-14,18,20,26H,2-6,15-16H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyQOAZCHSLMWAULY-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

N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6494535
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29449318
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
(3R)-1-(4-methylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2218530
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160789
1-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55581237
(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932410
N-[4-(tert-butylsulfamoyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081880
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 1249284) is (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2=O)cc1.
What is the InChIKey of (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QOAZCHSLMWAULY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-7-11-21(12-8-17)27-16-18(15-23(27)28)24(29)25-19-9-13-22(14-10-19)32(30,31)26-20-5-3-2-4-6-20/h7-14,18,20,26H,2-6,15-16H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of (3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-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-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1249284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).