(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H20N2O4S — CID 9071839

IUPAC(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-13-6-8-16(9-7-13)21-12-14(10-18(21)22)19(23)20-15-4-3-5-17(11-15)26(2,24)25/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyAOXNYOBFULVOJL-AWEZNQCLSA-N
MW372.45 g/mol
LogP2.39
Rot. Bonds4

About (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9071839) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9071839
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-13-6-8-16(9-7-13)21-12-14(10-18(21)22)19(23)20-15-4-3-5-17(11-15)26(2,24)25/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyAOXNYOBFULVOJL-AWEZNQCLSA-N
XLogP2.39
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3R)-1-(4-ethylphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412974
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 37257952
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
1-(4-ethylphenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155517
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
N-(3-methylphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17321883

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9071839) is (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(C)(=O)=O)c3)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AOXNYOBFULVOJL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-6-8-16(9-7-13)21-12-14(10-18(21)22)19(23)20-15-4-3-5-17(11-15)26(2,24)25/h3-9,11,14H,10,12H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9071839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).