N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride

C15H20ClN3O3S2 — CID 119432119

IUPACN-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl
InChIInChI=1S/C15H19N3O3S2.ClH/c1-16-8-4-9-17-15(19)12-5-2-6-13(11-12)18-23(20,21)14-7-3-10-22-14;/h2-3,5-7,10-11,16,18H,4,8-9H2,1H3,(H,17,19);1H
InChIKeyOASYFNSYYQNUSK-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.31
Rot. Bonds8

About N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride

N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (PubChem CID 119432119) has the molecular formula C15H20ClN3O3S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
PubChem CID119432119
Molecular FormulaC15H20ClN3O3S2
Molecular Weight389.93 g/mol
Exact Mass389.06
IUPAC NameN-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCNCCCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl
InChIInChI=1S/C15H19N3O3S2.ClH/c1-16-8-4-9-17-15(19)12-5-2-6-13(11-12)18-23(20,21)14-7-3-10-22-14;/h2-3,5-7,10-11,16,18H,4,8-9H2,1H3,(H,17,19);1H
InChIKeyOASYFNSYYQNUSK-UHFFFAOYSA-N
XLogP2.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831
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-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119667025
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 56543508
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78897097

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (CID 119432119) is N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is CNCCCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The InChIKey is OASYFNSYYQNUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2.ClH/c1-16-8-4-9-17-15(19)12-5-2-6-13(11-12)18-23(20,21)14-7-3-10-22-14;/h2-3,5-7,10-11,16,18H,4,8-9H2,1H3,(H,17,19);1H.
What are the key properties of N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119432119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).