5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride

C17H29ClN4O4S — CID 119660770

IUPAC5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-11(2)15(18)8-9-21(4)17(23)14-10-13(19-12(3)22)6-7-16(14)20-26(5,24)25;/h6-7,10-11,15,20H,8-9,18H2,1-5H3,(H,19,22);1H
InChIKeyBJYFXUVTKGVRJB-UHFFFAOYSA-N
MW420.96 g/mol
LogP1.88
Rot. Bonds8

About 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride

5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride (PubChem CID 119660770) has the molecular formula C17H29ClN4O4S and a molecular weight of 420.96 g/mol. Its IUPAC name is 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
PubChem CID119660770
Molecular FormulaC17H29ClN4O4S
Molecular Weight420.96 g/mol
Exact Mass420.16
IUPAC Name5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)CCC(N)C(C)C)c1.Cl
InChIInChI=1S/C17H28N4O4S.ClH/c1-11(2)15(18)8-9-21(4)17(23)14-10-13(19-12(3)22)6-7-16(14)20-26(5,24)25;/h6-7,10-11,15,20H,8-9,18H2,1-5H3,(H,19,22);1H
InChIKeyBJYFXUVTKGVRJB-UHFFFAOYSA-N
XLogP1.88
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 56579218
5-acetamido-N-(2-amino-2-ethylbutyl)-2-(methanesulfonamido)benzamide;hydrochloride
CID 119643324
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(3-amino-4-methylpentyl)-N-methylacetamide
CID 119660507
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
N-(3-amino-4-methylpentyl)-3-fluoro-4-(methanesulfonamido)-N-methylbenzenesulfonamide;hydrochloride
CID 119992157
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride?
The IUPAC name of 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride (CID 119660770) is 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride?
The canonical SMILES for 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)CCC(N)C(C)C)c1.Cl.
What is the InChIKey of 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride?
The InChIKey is BJYFXUVTKGVRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S.ClH/c1-11(2)15(18)8-9-21(4)17(23)14-10-13(19-12(3)22)6-7-16(14)20-26(5,24)25;/h6-7,10-11,15,20H,8-9,18H2,1-5H3,(H,19,22);1H.
What are the key properties of 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride?
5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride has a molecular weight of 420.96 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119660770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).