N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride

C13H22ClN3O2S — CID 119506031

IUPACN-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)CCCNC(=O)c1ccsc1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-2-14-7-8-15-12(17)4-3-6-16-13(18)11-5-9-19-10-11;/h5,9-10,14H,2-4,6-8H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyQSBZYNKOBHDZOK-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.41
Rot. Bonds9

About N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride

N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride (PubChem CID 119506031) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
PubChem CID119506031
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC NameN-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)CCCNC(=O)c1ccsc1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-2-14-7-8-15-12(17)4-3-6-16-13(18)11-5-9-19-10-11;/h5,9-10,14H,2-4,6-8H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyQSBZYNKOBHDZOK-UHFFFAOYSA-N
XLogP1.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071
N-[2-(propylamino)ethyl]thiophene-3-carboxamide
CID 62658821
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
2-[4-(thiophene-3-carbonylamino)butanoylamino]butanoic acid
CID 119224156
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 110887400
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 119569676
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 38162912
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride (CID 119506031) is N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride is CCNCCNC(=O)CCCNC(=O)c1ccsc1.Cl.
What is the InChIKey of N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is QSBZYNKOBHDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-2-14-7-8-15-12(17)4-3-6-16-13(18)11-5-9-19-10-11;/h5,9-10,14H,2-4,6-8H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride?
N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)ethylamino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119506031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).