N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride

C17H23ClN2O3S2 — CID 119585769

IUPACN-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2O3S2.ClH/c1-12(2)10-13(11-18)19-17(20)15-8-9-16(23-15)24(21,22)14-6-4-3-5-7-14;/h3-9,12-13H,10-11,18H2,1-2H3,(H,19,20);1H
InChIKeyGVXBVAGMWBANCO-UHFFFAOYSA-N
MW402.97 g/mol
LogP3.11
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119585769) has the molecular formula C17H23ClN2O3S2 and a molecular weight of 402.97 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119585769
Molecular FormulaC17H23ClN2O3S2
Molecular Weight402.97 g/mol
Exact Mass402.08
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2O3S2.ClH/c1-12(2)10-13(11-18)19-17(20)15-8-9-16(23-15)24(21,22)14-6-4-3-5-7-14;/h3-9,12-13H,10-11,18H2,1-2H3,(H,19,20);1H
InChIKeyGVXBVAGMWBANCO-UHFFFAOYSA-N
XLogP3.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119589307
N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119589308
N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119626257
N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119640113
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119572631
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724998
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-(1-amino-4-methylpentan-2-yl)-4-(methylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 119588415
N-(1-amino-4-methylpentan-2-yl)-4-(difluoromethylsulfonylmethyl)benzamide
CID 119588784

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride (CID 119585769) is N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is GVXBVAGMWBANCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2.ClH/c1-12(2)10-13(11-18)19-17(20)15-8-9-16(23-15)24(21,22)14-6-4-3-5-7-14;/h3-9,12-13H,10-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119585769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).