N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride

C18H26ClN3O3S2 — CID 119585485

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl
InChIInChI=1S/C18H25N3O3S2.ClH/c1-13(2)9-15(11-19)21-18(22)14-5-3-7-17(10-14)26(23,24)20-12-16-6-4-8-25-16;/h3-8,10,13,15,20H,9,11-12,19H2,1-2H3,(H,21,22);1H
InChIKeyBBQFUNGQUBYUFA-UHFFFAOYSA-N
MW432.01 g/mol
LogP2.75
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119585485) has the molecular formula C18H26ClN3O3S2 and a molecular weight of 432.01 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119585485
Molecular FormulaC18H26ClN3O3S2
Molecular Weight432.01 g/mol
Exact Mass431.11
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl
InChIInChI=1S/C18H25N3O3S2.ClH/c1-13(2)9-15(11-19)21-18(22)14-5-3-7-17(10-14)26(23,24)20-12-16-6-4-8-25-16;/h3-8,10,13,15,20H,9,11-12,19H2,1-2H3,(H,21,22);1H
InChIKeyBBQFUNGQUBYUFA-UHFFFAOYSA-N
XLogP2.75
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 119612805
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
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-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
N-[4-(furan-2-yl)butan-2-yl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55364025
N-(1-amino-4-methylpentan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119587562
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 119585485) is N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is BBQFUNGQUBYUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2.ClH/c1-13(2)9-15(11-19)21-18(22)14-5-3-7-17(10-14)26(23,24)20-12-16-6-4-8-25-16;/h3-8,10,13,15,20H,9,11-12,19H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 432.01 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119585485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).