N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide

C14H22N2O3S — CID 51160695

IUPACN-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-11(4)15-14(17)12-6-8-13(9-7-12)20(18,19)16-10(2)3/h6-11,16H,5H2,1-4H3,(H,15,17)
InChIKeyMLECKXQFTCTGEU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.90
Rot. Bonds6

About N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide

N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 51160695) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID51160695
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-11(4)15-14(17)12-6-8-13(9-7-12)20(18,19)16-10(2)3/h6-11,16H,5H2,1-4H3,(H,15,17)
InChIKeyMLECKXQFTCTGEU-UHFFFAOYSA-N
XLogP1.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979598
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
CID 109059097
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide (CID 51160695) is N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide is CCC(C)NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is MLECKXQFTCTGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-11(4)15-14(17)12-6-8-13(9-7-12)20(18,19)16-10(2)3/h6-11,16H,5H2,1-4H3,(H,15,17).
What are the key properties of N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide?
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 51160695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).