(2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C20H22N2O4S — CID 93072389

IUPAC(2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccccc2C)cc1C
InChIInChI=1S/C20H22N2O4S/c1-13-8-9-16(12-15(13)3)27(25,26)22-18(10-11-19(22)23)20(24)21-17-7-5-4-6-14(17)2/h4-9,12,18H,10-11H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyQLYYTWCNNFJHTB-GOSISDBHSA-N
MW386.47 g/mol
LogP2.93
Rot. Bonds4

About (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

(2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 93072389) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID93072389
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccccc2C)cc1C
InChIInChI=1S/C20H22N2O4S/c1-13-8-9-16(12-15(13)3)27(25,26)22-18(10-11-19(22)23)20(24)21-17-7-5-4-6-14(17)2/h4-9,12,18H,10-11H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeyQLYYTWCNNFJHTB-GOSISDBHSA-N
XLogP2.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92850386
N-(2,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 53029582
(2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95074322
(2S)-N-cyclooctyl-1-(3,4-dimethylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 95074305
(2R)-N-(3,4-dimethylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 1294852
(2R)-N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92712425
2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate
CID 6987638
(2S)-1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95074323
N-(3-chloro-4-methoxyphenyl)-1-(3,4-dimethylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 53087217
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 93072370
(2S)-1-(3,4-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 93059335
1-(3,4-dimethylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 53029577

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 93072389) is (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccccc2C)cc1C.
What is the InChIKey of (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QLYYTWCNNFJHTB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-8-9-16(12-15(13)3)27(25,26)22-18(10-11-19(22)23)20(24)21-17-7-5-4-6-14(17)2/h4-9,12,18H,10-11H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
(2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 93072389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).