N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide

C24H29N3O5S — CID 94091199

IUPACN-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCC(NS(=O)(=O)c4ccc(C)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O5S/c1-17-3-9-22(10-4-17)33(30,31)25-19-11-13-26(14-12-19)24(29)18-15-23(28)27(16-18)20-5-7-21(32-2)8-6-20/h3-10,18-19,25H,11-16H2,1-2H3/t18-/m0/s1
InChIKeyIYQSEILOWRREER-SFHVURJKSA-N
MW471.58 g/mol
LogP2.33
Rot. Bonds6

About N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide

N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 94091199) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID94091199
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCC(NS(=O)(=O)c4ccc(C)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O5S/c1-17-3-9-22(10-4-17)33(30,31)25-19-11-13-26(14-12-19)24(29)18-15-23(28)27(16-18)20-5-7-21(32-2)8-6-20/h3-10,18-19,25H,11-16H2,1-2H3/t18-/m0/s1
InChIKeyIYQSEILOWRREER-SFHVURJKSA-N
XLogP2.33
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
1-(4-methoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42650428
N-(2,4-dimethoxyphenyl)-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964094
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1249284
methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 100804998
(4S)-1-(4-methoxyphenyl)-4-[4-(3-methylbut-2-enoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29134485
N-[4-(tert-butylsulfamoyl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081880
1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 46389291
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide (CID 94091199) is N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide is COc1ccc(N2C[C@@H](C(=O)N3CCC(NS(=O)(=O)c4ccc(C)cc4)CC3)CC2=O)cc1.
What is the InChIKey of N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is IYQSEILOWRREER-SFHVURJKSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-17-3-9-22(10-4-17)33(30,31)25-19-11-13-26(14-12-19)24(29)18-15-23(28)27(16-18)20-5-7-21(32-2)8-6-20/h3-10,18-19,25H,11-16H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide?
N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 471.58 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 94091199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).