N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride

C16H28ClN3O5S — CID 119665737

IUPACN-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1.Cl
InChIInChI=1S/C16H27N3O5S.ClH/c1-5-6-7-12(10-17)18-16(20)11-8-13(19-25(4,21)22)15(24-3)14(9-11)23-2;/h8-9,12,19H,5-7,10,17H2,1-4H3,(H,18,20);1H
InChIKeyVPNCAJRJKJHISY-UHFFFAOYSA-N
MW409.94 g/mol
LogP1.74
Rot. Bonds10

About N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride (PubChem CID 119665737) has the molecular formula C16H28ClN3O5S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride
PubChem CID119665737
Molecular FormulaC16H28ClN3O5S
Molecular Weight409.94 g/mol
Exact Mass409.14
IUPAC NameN-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1.Cl
InChIInChI=1S/C16H27N3O5S.ClH/c1-5-6-7-12(10-17)18-16(20)11-8-13(19-25(4,21)22)15(24-3)14(9-11)23-2;/h8-9,12,19H,5-7,10,17H2,1-4H3,(H,18,20);1H
InChIKeyVPNCAJRJKJHISY-UHFFFAOYSA-N
XLogP1.74
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119665887
N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
CID 119665057
N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
CID 119666426
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119668248
(2S)-2-[(3-acetamido-4,5-dimethoxybenzoyl)amino]hexanoic acid
CID 120614500
N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
CID 119587638
N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride
CID 119666444
3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556011

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride (CID 119665737) is N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride is CCCCC(CN)NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride?
The InChIKey is VPNCAJRJKJHISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5S.ClH/c1-5-6-7-12(10-17)18-16(20)11-8-13(19-25(4,21)22)15(24-3)14(9-11)23-2;/h8-9,12,19H,5-7,10,17H2,1-4H3,(H,18,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 1.74, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119665737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).