4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide

C16H26N2O3S — CID 109058845

IUPAC4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-6-11-18(4)22(20,21)15-9-7-14(8-10-15)16(19)17-12-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyJBRNHUOVPXGPIH-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.49
Rot. Bonds8

About 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide

4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide (PubChem CID 109058845) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
PubChem CID109058845
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-5-6-11-18(4)22(20,21)15-9-7-14(8-10-15)16(19)17-12-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKeyJBRNHUOVPXGPIH-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
CID 8623651
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
CID 2137686
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 55802134
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951517
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248509

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide (CID 109058845) is 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)NCC(C)C)cc1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
The InChIKey is JBRNHUOVPXGPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-6-11-18(4)22(20,21)15-9-7-14(8-10-15)16(19)17-12-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19).
What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide?
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide has a molecular weight of 326.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 109058845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).