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

C19H24N2O3S — CID 132654284

IUPACN-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-5-15(3)20-19(22)16-7-6-8-17(13-16)21(4)25(23,24)18-11-9-14(2)10-12-18/h6-13,15H,5H2,1-4H3,(H,20,22)
InChIKeyAGUYRZPCBZEADT-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.35
Rot. Bonds6

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

N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 132654284) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID132654284
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-5-15(3)20-19(22)16-7-6-8-17(13-16)21(4)25(23,24)18-11-9-14(2)10-12-18/h6-13,15H,5H2,1-4H3,(H,20,22)
InChIKeyAGUYRZPCBZEADT-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 125086770
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132666889
3-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 12064193
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833
3-[methyl(methylsulfonyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 95119363

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 132654284) is N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide is CCC(C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is AGUYRZPCBZEADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-15(3)20-19(22)16-7-6-8-17(13-16)21(4)25(23,24)18-11-9-14(2)10-12-18/h6-13,15H,5H2,1-4H3,(H,20,22).
What are the key properties of N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 132654284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).