(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide

C24H29N3O5S — CID 40964170

IUPAC(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2=O)cc1
InChIInChI=1S/C24H29N3O5S/c1-2-17-5-9-20(10-6-17)27-16-18(14-23(27)28)24(29)26-19-7-11-22(12-8-19)33(30,31)25-15-21-4-3-13-32-21/h5-12,18,21,25H,2-4,13-16H2,1H3,(H,26,29)/t18-,21+/m0/s1
InChIKeyWVZIFWKCYKBFEK-GHTZIAJQSA-N
MW471.58 g/mol
LogP2.70
Rot. Bonds8

About (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide

(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 40964170) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID40964170
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2=O)cc1
InChIInChI=1S/C24H29N3O5S/c1-2-17-5-9-20(10-6-17)27-16-18(14-23(27)28)24(29)26-19-7-11-22(12-8-19)33(30,31)25-15-21-4-3-13-32-21/h5-12,18,21,25H,2-4,13-16H2,1H3,(H,26,29)/t18-,21+/m0/s1
InChIKeyWVZIFWKCYKBFEK-GHTZIAJQSA-N
XLogP2.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002417
(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002454
(3R)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 41002376
1-tert-butyl-5-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 6497371
(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964069
N-[4-(difluoromethylsulfonyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42905354
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120183
1-(3,4-dimethylphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 6497658
(3R)-1-(4-ethoxyphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41002488

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide (CID 40964170) is (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide is CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WVZIFWKCYKBFEK-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-2-17-5-9-20(10-6-17)27-16-18(14-23(27)28)24(29)26-19-7-11-22(12-8-19)33(30,31)25-15-21-4-3-13-32-21/h5-12,18,21,25H,2-4,13-16H2,1H3,(H,26,29)/t18-,21+/m0/s1.
What are the key properties of (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 40964170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).