N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide

C21H24N2O4S — CID 55894164

IUPACN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1
InChIInChI=1S/C21H24N2O4S/c1-28(26,27)19-11-5-9-17(13-19)20(24)22-14-15-6-4-10-18(12-15)23-21(25)16-7-2-3-8-16/h4-6,9-13,16H,2-3,7-8,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyXYLPKMYQXKESGX-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.15
Rot. Bonds6

About N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide (PubChem CID 55894164) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
PubChem CID55894164
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1
InChIInChI=1S/C21H24N2O4S/c1-28(26,27)19-11-5-9-17(13-19)20(24)22-14-15-6-4-10-18(12-15)23-21(25)16-7-2-3-8-16/h4-6,9-13,16H,2-3,7-8,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyXYLPKMYQXKESGX-UHFFFAOYSA-N
XLogP3.15
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide 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

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 17491912
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55947605
N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
CID 24667735
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide (CID 55894164) is N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1.
What is the InChIKey of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide?
The InChIKey is XYLPKMYQXKESGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-28(26,27)19-11-5-9-17(13-19)20(24)22-14-15-6-4-10-18(12-15)23-21(25)16-7-2-3-8-16/h4-6,9-13,16H,2-3,7-8,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide?
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 55894164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).