N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide

C19H31N3O3S — CID 119591487

IUPACN-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC(CN)C2CCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-3-14(2)22-26(24,25)17-11-9-16(10-12-17)19(23)21-18(13-20)15-7-5-4-6-8-15/h9-12,14-15,18,22H,3-8,13,20H2,1-2H3,(H,21,23)
InChIKeyQVXVIPGUEQHNCL-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.40
Rot. Bonds8

About N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide

N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide (PubChem CID 119591487) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
PubChem CID119591487
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC(CN)C2CCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-3-14(2)22-26(24,25)17-11-9-16(10-12-17)19(23)21-18(13-20)15-7-5-4-6-8-15/h9-12,14-15,18,22H,3-8,13,20H2,1-2H3,(H,21,23)
InChIKeyQVXVIPGUEQHNCL-UHFFFAOYSA-N
XLogP2.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(2-amino-1-cyclohexylethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119591997
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119617428
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119478111
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120713646
N-[4-[(2-amino-1-cyclopentylethyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 120585027
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
CID 39032121

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide (CID 119591487) is N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NC(CN)C2CCCCC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide?
The InChIKey is QVXVIPGUEQHNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-14(2)22-26(24,25)17-11-9-16(10-12-17)19(23)21-18(13-20)15-7-5-4-6-8-15/h9-12,14-15,18,22H,3-8,13,20H2,1-2H3,(H,21,23).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide?
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide has a molecular weight of 381.54 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 119591487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).