N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide

C16H26N2O3S — CID 86926868

IUPACN-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(2)10-11-18(5)16(19)14-6-8-15(9-7-14)22(20,21)17-13(3)4/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyQJLRPGJECMBLTQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.49
Rot. Bonds7

About N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide

N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 86926868) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID86926868
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)CCN(C)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(2)10-11-18(5)16(19)14-6-8-15(9-7-14)22(20,21)17-13(3)4/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyQJLRPGJECMBLTQ-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 119656163
N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 134054323
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
4-carbamothioyl-N-methyl-N-(3-methylbutyl)benzamide
CID 61429258
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
N-methyl-N-(2-methylpropyl)-4-methylsulfonylbenzamide
CID 134058555
N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 18136198
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539772

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 86926868) is N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(C)CCN(C)C(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is QJLRPGJECMBLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(2)10-11-18(5)16(19)14-6-8-15(9-7-14)22(20,21)17-13(3)4/h6-9,12-13,17H,10-11H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 326.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 86926868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).