N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride

C17H30ClN3O3S — CID 119657782

IUPACN-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C17H29N3O3S.ClH/c1-6-19-24(22,23)14-8-7-13(4)15(11-14)17(21)20(5)10-9-16(18)12(2)3;/h7-8,11-12,16,19H,6,9-10,18H2,1-5H3;1H
InChIKeyWCAHLVKYWJJTTI-UHFFFAOYSA-N
MW391.97 g/mol
LogP2.16
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride (PubChem CID 119657782) has the molecular formula C17H30ClN3O3S and a molecular weight of 391.97 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride
PubChem CID119657782
Molecular FormulaC17H30ClN3O3S
Molecular Weight391.97 g/mol
Exact Mass391.17
IUPAC NameN-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C17H29N3O3S.ClH/c1-6-19-24(22,23)14-8-7-13(4)15(11-14)17(21)20(5)10-9-16(18)12(2)3;/h7-8,11-12,16,19H,6,9-10,18H2,1-5H3;1H
InChIKeyWCAHLVKYWJJTTI-UHFFFAOYSA-N
XLogP2.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 134008752
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 55401208
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
N-(3-amino-4-methylpentyl)-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 119657426
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride (CID 119657782) is N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCC(N)C(C)C)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride?
The InChIKey is WCAHLVKYWJJTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S.ClH/c1-6-19-24(22,23)14-8-7-13(4)15(11-14)17(21)20(5)10-9-16(18)12(2)3;/h7-8,11-12,16,19H,6,9-10,18H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride has a molecular weight of 391.97 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119657782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).