N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide

C17H18N2O3S — CID 113094359

IUPACN-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCS(=O)(=O)N(c1ccc(NC(=O)c2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H18N2O3S/c1-23(21,22)19(16-11-12-16)15-9-7-14(8-10-15)18-17(20)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,18,20)
InChIKeyZDSRRQILIAJDGN-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.87
Rot. Bonds5

About N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide

N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 113094359) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID113094359
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCS(=O)(=O)N(c1ccc(NC(=O)c2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H18N2O3S/c1-23(21,22)19(16-11-12-16)15-9-7-14(8-10-15)18-17(20)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,18,20)
InChIKeyZDSRRQILIAJDGN-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
CID 113094445
3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094370
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
cyclopentanesulfonamide;N-phenylbenzamide
CID 174727310
N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 900640
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
(4-benzamidophenyl)carbamic acid
CID 18543096
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 113094753
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]acetamide
CID 113093569
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide (CID 113094359) is N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide is CS(=O)(=O)N(c1ccc(NC(=O)c2ccccc2)cc1)C1CC1.
What is the InChIKey of N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is ZDSRRQILIAJDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-23(21,22)19(16-11-12-16)15-9-7-14(8-10-15)18-17(20)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,18,20).
What are the key properties of N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide?
N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 330.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 113094359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).