4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide

C10H14N2O2S — CID 675872

IUPAC4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-4-7(13)12-10-8(9(11)14)5(2)6(3)15-10/h4H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyBGHBEYDLRXTBNW-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.81
Rot. Bonds3

About 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide

4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide (PubChem CID 675872) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
PubChem CID675872
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
SMILESCCC(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C10H14N2O2S/c1-4-7(13)12-10-8(9(11)14)5(2)6(3)15-10/h4H2,1-3H3,(H2,11,14)(H,12,13)
InChIKeyBGHBEYDLRXTBNW-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 18474073
5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
CID 7741576
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108806511
3-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033355
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108807071
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
(E)-4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 922259
4-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]butanoic acid
CID 82033354
2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 4195204

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide (CID 675872) is 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide is CCC(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide?
The InChIKey is BGHBEYDLRXTBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-4-7(13)12-10-8(9(11)14)5(2)6(3)15-10/h4H2,1-3H3,(H2,11,14)(H,12,13).
What are the key properties of 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide?
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 675872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).