N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride

C19H32ClN3O4S — CID 119665887

IUPACN-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-3-4-7-16(13-20)21-19(23)14-10-11-17(26-2)18(12-14)27(24,25)22-15-8-5-6-9-15;/h10-12,15-16,22H,3-9,13,20H2,1-2H3,(H,21,23);1H
InChIKeyTXHJNDJXAZCNGI-UHFFFAOYSA-N
MW434.00 g/mol
LogP2.59
Rot. Bonds10

About N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride (PubChem CID 119665887) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
PubChem CID119665887
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC NameN-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-3-4-7-16(13-20)21-19(23)14-10-11-17(26-2)18(12-14)27(24,25)22-15-8-5-6-9-15;/h10-12,15-16,22H,3-9,13,20H2,1-2H3,(H,21,23);1H
InChIKeyTXHJNDJXAZCNGI-UHFFFAOYSA-N
XLogP2.59
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
CID 119666426
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclopentylsulfamoyl)-4-methoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 27739768
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride (CID 119665887) is N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride?
The InChIKey is TXHJNDJXAZCNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-3-4-7-16(13-20)21-19(23)14-10-11-17(26-2)18(12-14)27(24,25)22-15-8-5-6-9-15;/h10-12,15-16,22H,3-9,13,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 2.59, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119665887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).