N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride

C17H23ClN2O3S2 — CID 119640113

IUPACN-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2O3S2.ClH/c1-3-17(18,4-2)12-19-16(20)14-10-11-15(23-14)24(21,22)13-8-6-5-7-9-13;/h5-11H,3-4,12,18H2,1-2H3,(H,19,20);1H
InChIKeyZKCTVXBBEKWYSZ-UHFFFAOYSA-N
MW402.97 g/mol
LogP3.25
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 119640113) has the molecular formula C17H23ClN2O3S2 and a molecular weight of 402.97 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
PubChem CID119640113
Molecular FormulaC17H23ClN2O3S2
Molecular Weight402.97 g/mol
Exact Mass402.08
IUPAC NameN-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.Cl
InChIInChI=1S/C17H22N2O3S2.ClH/c1-3-17(18,4-2)12-19-16(20)14-10-11-15(23-14)24(21,22)13-8-6-5-7-9-13;/h5-11H,3-4,12,18H2,1-2H3,(H,19,20);1H
InChIKeyZKCTVXBBEKWYSZ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119626257
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124439
N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119585769
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
CID 71920351
N-(1-amino-2-cyclopropylpropan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119572631
2-ethyl-2-[[(5-methylsulfonylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 122108269
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
5-(benzenesulfonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124497
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
CID 53124472

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride (CID 119640113) is N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is ZKCTVXBBEKWYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2.ClH/c1-3-17(18,4-2)12-19-16(20)14-10-11-15(23-14)24(21,22)13-8-6-5-7-9-13;/h5-11H,3-4,12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119640113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).