4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

C11H17ClN2O2S — CID 119429860

IUPAC4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(C(C)=O)cs1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-8(14)9-6-10(16-7-9)11(15)13-5-3-4-12-2;/h6-7,12H,3-5H2,1-2H3,(H,13,15);1H
InChIKeyAEYZJLGZFADWQX-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.71
Rot. Bonds6

About 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride

4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119429860) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119429860
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1cc(C(C)=O)cs1.Cl
InChIInChI=1S/C11H16N2O2S.ClH/c1-8(14)9-6-10(16-7-9)11(15)13-5-3-4-12-2;/h6-7,12H,3-5H2,1-2H3,(H,13,15);1H
InChIKeyAEYZJLGZFADWQX-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
CID 119405170
4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 119390974
4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide
CID 119640021
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
2-[[(4-acetylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253768
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
4-acetyl-N-(1-amino-2-methylpropan-2-yl)thiophene-2-carboxamide
CID 119521663
3,5-difluoro-N-[3-(methylamino)propyl]benzamide
CID 43600831
4-acetyl-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 97340263

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride (CID 119429860) is 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is CNCCCNC(=O)c1cc(C(C)=O)cs1.Cl.
What is the InChIKey of 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is AEYZJLGZFADWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c1-8(14)9-6-10(16-7-9)11(15)13-5-3-4-12-2;/h6-7,12H,3-5H2,1-2H3,(H,13,15);1H.
What are the key properties of 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride?
4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119429860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).