N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide

C17H19NO3S — CID 41148675

IUPACN-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-12(2)22(20,21)16-10-6-14(7-11-16)17(19)18-15-8-4-13(3)5-9-15/h4-12H,1-3H3,(H,18,19)
InChIKeyVOVIYBUOYKOEJI-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.43
Rot. Bonds4

About N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide

N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 41148675) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
PubChem CID41148675
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-12(2)22(20,21)16-10-6-14(7-11-16)17(19)18-15-8-4-13(3)5-9-15/h4-12H,1-3H3,(H,18,19)
InChIKeyVOVIYBUOYKOEJI-UHFFFAOYSA-N
XLogP3.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-4-propan-2-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

N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
CID 55755393
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide (CID 41148675) is N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is VOVIYBUOYKOEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(2)22(20,21)16-10-6-14(7-11-16)17(19)18-15-8-4-13(3)5-9-15/h4-12H,1-3H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide?
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 317.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 41148675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).