N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride

C15H20ClN3O3S2 — CID 119995200

IUPACN-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl
InChIInChI=1S/C15H19N3O3S2.ClH/c1-11(9-16)10-17-15(19)12-4-2-5-13(8-12)18-23(20,21)14-6-3-7-22-14;/h2-8,11,18H,9-10,16H2,1H3,(H,17,19);1H
InChIKeyDWFNFLBFTQKOHB-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.30
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (PubChem CID 119995200) has the molecular formula C15H20ClN3O3S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
PubChem CID119995200
Molecular FormulaC15H20ClN3O3S2
Molecular Weight389.93 g/mol
Exact Mass389.06
IUPAC NameN-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl
InChIInChI=1S/C15H19N3O3S2.ClH/c1-11(9-16)10-17-15(19)12-4-2-5-13(8-12)18-23(20,21)14-6-3-7-22-14;/h2-8,11,18H,9-10,16H2,1H3,(H,17,19);1H
InChIKeyDWFNFLBFTQKOHB-UHFFFAOYSA-N
XLogP2.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119667025
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60510665
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-[(2,4-dimethylphenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55830367
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (CID 119995200) is N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is CC(CN)CNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The InChIKey is DWFNFLBFTQKOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2.ClH/c1-11(9-16)10-17-15(19)12-4-2-5-13(8-12)18-23(20,21)14-6-3-7-22-14;/h2-8,11,18H,9-10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119995200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).