3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

C23H27N3O4S — CID 39517268

IUPAC3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C23H27N3O4S/c27-22-12-5-13-26(22)20-10-3-6-17(14-20)16-24-23(28)18-7-4-11-21(15-18)31(29,30)25-19-8-1-2-9-19/h3-4,6-7,10-11,14-15,19,25H,1-2,5,8-9,12-13,16H2,(H,24,28)
InChIKeyGBVMUUKDXZIBBD-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.96
Rot. Bonds7

About 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (PubChem CID 39517268) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
PubChem CID39517268
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C23H27N3O4S/c27-22-12-5-13-26(22)20-10-3-6-17(14-20)16-24-23(28)18-7-4-11-21(15-18)31(29,30)25-19-8-1-2-9-19/h3-4,6-7,10-11,14-15,19,25H,1-2,5,8-9,12-13,16H2,(H,24,28)
InChIKeyGBVMUUKDXZIBBD-UHFFFAOYSA-N
XLogP2.96
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-(cycloheptylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 109064880
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (CID 39517268) is 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is O=C(NCc1cccc(N2CCCC2=O)c1)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The InChIKey is GBVMUUKDXZIBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c27-22-12-5-13-26(22)20-10-3-6-17(14-20)16-24-23(28)18-7-4-11-21(15-18)31(29,30)25-19-8-1-2-9-19/h3-4,6-7,10-11,14-15,19,25H,1-2,5,8-9,12-13,16H2,(H,24,28).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide has a molecular weight of 441.55 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 39517268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).