N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C23H27N3O4S — CID 16919059

IUPACN-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(N2CC(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O4S/c1-17-4-8-20(9-5-17)26-16-18(14-22(26)27)15-24-23(28)19-6-10-21(11-7-19)31(29,30)25-12-2-3-13-25/h4-11,18H,2-3,12-16H2,1H3,(H,24,28)
InChIKeyXITSXUGITZCECS-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.56
Rot. Bonds6

About N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 16919059) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID16919059
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(N2CC(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1
InChIInChI=1S/C23H27N3O4S/c1-17-4-8-20(9-5-17)26-16-18(14-22(26)27)15-24-23(28)19-6-10-21(11-7-19)31(29,30)25-12-2-3-13-25/h4-11,18H,2-3,12-16H2,1H3,(H,24,28)
InChIKeyXITSXUGITZCECS-UHFFFAOYSA-N
XLogP2.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-morpholin-4-ylsulfonyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918301
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16919018
3,5-dimethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918985
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 40775122
4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 16919059) is N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(N2CC(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XITSXUGITZCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-17-4-8-20(9-5-17)26-16-18(14-22(26)27)15-24-23(28)19-6-10-21(11-7-19)31(29,30)25-12-2-3-13-25/h4-11,18H,2-3,12-16H2,1H3,(H,24,28).
What are the key properties of N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 441.55 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 16919059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).