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

C15H20ClN3O3S2 — CID 119499971

IUPACN-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl
InChIInChI=1S/C15H19N3O3S2.ClH/c1-16-7-8-17-15(19)12-4-2-6-14(10-12)23(20,21)18-11-13-5-3-9-22-13;/h2-6,9-10,16,18H,7-8,11H2,1H3,(H,17,19);1H
InChIKeyVKEAOBSMURFGQY-UHFFFAOYSA-N
MW389.93 g/mol
LogP1.60
Rot. Bonds8

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

N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119499971) has the molecular formula C15H20ClN3O3S2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119499971
Molecular FormulaC15H20ClN3O3S2
Molecular Weight389.93 g/mol
Exact Mass389.06
IUPAC NameN-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl
InChIInChI=1S/C15H19N3O3S2.ClH/c1-16-7-8-17-15(19)12-4-2-6-14(10-12)23(20,21)18-11-13-5-3-9-22-13;/h2-6,9-10,16,18H,7-8,11H2,1H3,(H,17,19);1H
InChIKeyVKEAOBSMURFGQY-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
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-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
N-[4-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55716578
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119585485
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 119499971) is N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is CNCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is VKEAOBSMURFGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2.ClH/c1-16-7-8-17-15(19)12-4-2-6-14(10-12)23(20,21)18-11-13-5-3-9-22-13;/h2-6,9-10,16,18H,7-8,11H2,1H3,(H,17,19);1H.
What are the key properties of N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119499971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).