N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide

C18H22N2O3S — CID 41448539

IUPACN-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-4-14(3)19-18(21)15-6-5-7-16(12-15)20-24(22,23)17-10-8-13(2)9-11-17/h5-12,14,20H,4H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyVSJIXTJBBRJJGC-AWEZNQCLSA-N
MW346.45 g/mol
LogP3.32
Rot. Bonds6

About N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 41448539) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID41448539
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O3S/c1-4-14(3)19-18(21)15-6-5-7-16(12-15)20-24(22,23)17-10-8-13(2)9-11-17/h5-12,14,20H,4H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyVSJIXTJBBRJJGC-AWEZNQCLSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
N-butan-2-yl-2-[[3-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 19062390
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
N-butan-2-yl-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 109063056
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 41466932
N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 41448539) is N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide is CC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is VSJIXTJBBRJJGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14(3)19-18(21)15-6-5-7-16(12-15)20-24(22,23)17-10-8-13(2)9-11-17/h5-12,14,20H,4H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 41448539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).