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

C16H22ClN3O3S2 — CID 120829635

IUPACN-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl
InChIInChI=1S/C16H21N3O3S2.ClH/c1-12(17-2)10-18-16(20)13-5-3-7-15(9-13)24(21,22)19-11-14-6-4-8-23-14;/h3-9,12,17,19H,10-11H2,1-2H3,(H,18,20);1H
InChIKeyBCFTYEIIRMXLSU-UHFFFAOYSA-N
MW403.96 g/mol
LogP1.99
Rot. Bonds8

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

N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 120829635) has the molecular formula C16H22ClN3O3S2 and a molecular weight of 403.96 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID120829635
Molecular FormulaC16H22ClN3O3S2
Molecular Weight403.96 g/mol
Exact Mass403.08
IUPAC NameN-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl
InChIInChI=1S/C16H21N3O3S2.ClH/c1-12(17-2)10-18-16(20)13-5-3-7-15(9-13)24(21,22)19-11-14-6-4-8-23-14;/h3-9,12,17,19H,10-11H2,1-2H3,(H,18,20);1H
InChIKeyBCFTYEIIRMXLSU-UHFFFAOYSA-N
XLogP1.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.96
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
CID 120832243
N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119585485
N-(2-morpholin-4-yl-2-phenylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43057595
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 120946825
N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55364025
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 120829635) is N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is CNC(C)CNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is BCFTYEIIRMXLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2.ClH/c1-12(17-2)10-18-16(20)13-5-3-7-15(9-13)24(21,22)19-11-14-6-4-8-23-14;/h3-9,12,17,19H,10-11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 403.96 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 120829635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).