3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide

C19H24N2O3S — CID 19062395

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-4-6-15(3)20-19(22)16-7-5-8-17(13-16)21-25(23,24)18-11-9-14(2)10-12-18/h5,7-13,15,21H,4,6H2,1-3H3,(H,20,22)
InChIKeyCKWHIJDYKQYWKR-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.71
Rot. Bonds7

About 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide

3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide (PubChem CID 19062395) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
PubChem CID19062395
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-4-6-15(3)20-19(22)16-7-5-8-17(13-16)21-25(23,24)18-11-9-14(2)10-12-18/h5,7-13,15,21H,4,6H2,1-3H3,(H,20,22)
InChIKeyCKWHIJDYKQYWKR-UHFFFAOYSA-N
XLogP3.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 19062390
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43877132
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-[(2R)-pentan-2-yl]benzamide
CID 27232311
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24635649
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide (CID 19062395) is 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
The InChIKey is CKWHIJDYKQYWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-6-15(3)20-19(22)16-7-5-8-17(13-16)21-25(23,24)18-11-9-14(2)10-12-18/h5,7-13,15,21H,4,6H2,1-3H3,(H,20,22).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide?
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide has a molecular weight of 360.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide is sourced from PubChem (CID 19062395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).