N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride

C16H26ClN3O4S — CID 119658844

IUPACN-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-11(2)14(17)8-9-19(3)16(21)12-4-6-13(7-5-12)24(22,23)10-15(18)20;/h4-7,11,14H,8-10,17H2,1-3H3,(H2,18,20);1H
InChIKeyCVXOJHNKWWOOFG-UHFFFAOYSA-N
MW391.92 g/mol
LogP0.81
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride (PubChem CID 119658844) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
PubChem CID119658844
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC NameN-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-11(2)14(17)8-9-19(3)16(21)12-4-6-13(7-5-12)24(22,23)10-15(18)20;/h4-7,11,14H,8-10,17H2,1-3H3,(H2,18,20);1H
InChIKeyCVXOJHNKWWOOFG-UHFFFAOYSA-N
XLogP0.81
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride
CID 119659238
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119658054
N-(3-amino-4-methylpentyl)-N-methyl-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 119659139

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride (CID 119658844) is N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride?
The InChIKey is CVXOJHNKWWOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-11(2)14(17)8-9-19(3)16(21)12-4-6-13(7-5-12)24(22,23)10-15(18)20;/h4-7,11,14H,8-10,17H2,1-3H3,(H2,18,20);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119658844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).