(5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C23H27N3O4S — CID 92751777

IUPAC(5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C23H27N3O4S/c1-17-7-6-10-20(18(17)2)24-13-15-25(16-14-24)23(28)21-11-12-22(27)26(21)31(29,30)19-8-4-3-5-9-19/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1
InChIKeyFRAUHTYBEYGCCF-OAQYLSRUSA-N
MW441.55 g/mol
LogP2.33
Rot. Bonds4

About (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

(5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 92751777) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID92751777
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name(5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C23H27N3O4S/c1-17-7-6-10-20(18(17)2)24-13-15-25(16-14-24)23(28)21-11-12-22(27)26(21)31(29,30)19-8-4-3-5-9-19/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1
InChIKeyFRAUHTYBEYGCCF-OAQYLSRUSA-N
XLogP2.33
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

[1-(benzenesulfonyl)piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259305
(5R)-1-(benzenesulfonyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 92751803
1-(4-fluorophenyl)sulfonyl-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 53000574
(5S)-1-(benzenesulfonyl)-5-(4-cyclohexylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 92751774
(5S)-1-(4-methylphenyl)sulfonyl-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 1093274
(5R)-1-(4-methylphenyl)sulfonyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93059294
(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-one
CID 93059372
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
methyl 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 110754503
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976
(5R)-1-(4-methylphenyl)sulfonyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 93059296
[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131851

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 92751777) is (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(N2CCN(C(=O)[C@H]3CCC(=O)N3S(=O)(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FRAUHTYBEYGCCF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-17-7-6-10-20(18(17)2)24-13-15-25(16-14-24)23(28)21-11-12-22(27)26(21)31(29,30)19-8-4-3-5-9-19/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1.
What are the key properties of (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 441.55 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(benzenesulfonyl)-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 92751777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).