N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide

C17H18N2O4S — CID 26213288

IUPACN-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-24(22,23)15-9-7-14(8-10-15)19-16(20)11-12-18-17(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyUBPFFWBFRGKPLK-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.85
Rot. Bonds6

About N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide

N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide (PubChem CID 26213288) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
PubChem CID26213288
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-24(22,23)15-9-7-14(8-10-15)19-16(20)11-12-18-17(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyUBPFFWBFRGKPLK-UHFFFAOYSA-N
XLogP1.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide 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-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
CID 33034304
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55898611
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide?
The IUPAC name of N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide (CID 26213288) is N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide is CS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide?
The InChIKey is UBPFFWBFRGKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-24(22,23)15-9-7-14(8-10-15)19-16(20)11-12-18-17(21)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide?
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide has a molecular weight of 346.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 26213288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).