1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H23N3O4S — CID 46570341

IUPAC1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3cccc(NS(C)(=O)=O)c3)CC2=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-14-7-9-18(10-8-14)23-13-15(11-19(23)24)20(25)21-16-5-4-6-17(12-16)22-28(2,26)27/h4-10,12,15,22H,3,11,13H2,1-2H3,(H,21,25)
InChIKeyRVVPFCDBQAIPQK-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.61
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46570341) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46570341
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3cccc(NS(C)(=O)=O)c3)CC2=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-14-7-9-18(10-8-14)23-13-15(11-19(23)24)20(25)21-16-5-4-6-17(12-16)22-28(2,26)27/h4-10,12,15,22H,3,11,13H2,1-2H3,(H,21,25)
InChIKeyRVVPFCDBQAIPQK-UHFFFAOYSA-N
XLogP2.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412974
N-(3-bromophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4667771
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(1,3-benzodioxol-5-yl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43060347
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46570341) is 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3cccc(NS(C)(=O)=O)c3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RVVPFCDBQAIPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-14-7-9-18(10-8-14)23-13-15(11-19(23)24)20(25)21-16-5-4-6-17(12-16)22-28(2,26)27/h4-10,12,15,22H,3,11,13H2,1-2H3,(H,21,25).
What are the key properties of 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46570341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).