N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride

C19H31ClN2O3S — CID 119659238

IUPACN-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C19H30N2O3S.ClH/c1-14(2)18(20)12-13-21(3)19(22)15-8-10-17(11-9-15)25(23,24)16-6-4-5-7-16;/h8-11,14,16,18H,4-7,12-13,20H2,1-3H3;1H
InChIKeyKIZLNEBVYHVKJM-UHFFFAOYSA-N
MW402.99 g/mol
LogP3.27
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride (PubChem CID 119659238) has the molecular formula C19H31ClN2O3S and a molecular weight of 402.99 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride
PubChem CID119659238
Molecular FormulaC19H31ClN2O3S
Molecular Weight402.99 g/mol
Exact Mass402.17
IUPAC NameN-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl
InChIInChI=1S/C19H30N2O3S.ClH/c1-14(2)18(20)12-13-21(3)19(22)15-8-10-17(11-9-15)25(23,24)16-6-4-5-7-16;/h8-11,14,16,18H,4-7,12-13,20H2,1-3H3;1H
InChIKeyKIZLNEBVYHVKJM-UHFFFAOYSA-N
XLogP3.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.99
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-4-(cyclopropylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119659587
3-[(4-cyclopentylsulfonylbenzoyl)-methylamino]propanoic acid
CID 119362869
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119658844
N-(3-amino-4-methylpentyl)-N-methyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119658054
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
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-3-methylsulfonylbenzamide
CID 81485805
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-(3-amino-4-methylpentyl)-4-[(2,5-dioxopyrrolidin-3-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119659302
N-(3-amino-4-methylpentyl)-N-methyl-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 119659139
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride (CID 119659238) is N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride?
The InChIKey is KIZLNEBVYHVKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S.ClH/c1-14(2)18(20)12-13-21(3)19(22)15-8-10-17(11-9-15)25(23,24)16-6-4-5-7-16;/h8-11,14,16,18H,4-7,12-13,20H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride has a molecular weight of 402.99 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-cyclopentylsulfonyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119659238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).