N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide

C17H27N3O3S — CID 119478111

IUPACN-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-3-12(2)20-24(22,23)16-10-4-13(5-11-16)17(21)19-15-8-6-14(18)7-9-15/h4-5,10-12,14-15,20H,3,6-9,18H2,1-2H3,(H,19,21)
InChIKeyHADHYGJOLNDHIM-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.76
Rot. Bonds6

About N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide

N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide (PubChem CID 119478111) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
PubChem CID119478111
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C17H27N3O3S/c1-3-12(2)20-24(22,23)16-10-4-13(5-11-16)17(21)19-15-8-6-14(18)7-9-15/h4-5,10-12,14-15,20H,3,6-9,18H2,1-2H3,(H,19,21)
InChIKeyHADHYGJOLNDHIM-UHFFFAOYSA-N
XLogP1.76
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
CID 39032121
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428182
4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700441
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487
[2-(cyclohexylamino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 7828322
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216707
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-(ethylsulfamoyl)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 24543001
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8954903

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide (CID 119478111) is N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide?
The InChIKey is HADHYGJOLNDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-12(2)20-24(22,23)16-10-4-13(5-11-16)17(21)19-15-8-6-14(18)7-9-15/h4-5,10-12,14-15,20H,3,6-9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide?
N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 119478111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).