4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid

C11H15NO3S — CID 843835

IUPAC4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid
SMILESCCC(=O)Nc1sc(C)c(CC)c1C(=O)O
InChIInChI=1S/C11H15NO3S/c1-4-7-6(3)16-10(9(7)11(14)15)12-8(13)5-2/h4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDGAFJNPMVSRNRP-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.67
Rot. Bonds4

About 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid

4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid (PubChem CID 843835) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid
PubChem CID843835
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid
SMILESCCC(=O)Nc1sc(C)c(CC)c1C(=O)O
InChIInChI=1S/C11H15NO3S/c1-4-7-6(3)16-10(9(7)11(14)15)12-8(13)5-2/h4-5H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDGAFJNPMVSRNRP-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
methyl 3-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 28638080
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 19685769
ethyl 2-(3-aminopropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119264652
propan-2-yl 4-ethyl-2-[[5-[(4-ethyl-5-methyl-3-propan-2-yloxycarbonylthiophen-2-yl)amino]-5-oxopentanoyl]amino]-5-methylthiophene-3-carboxylate
CID 5144166
ethyl 2-(3-aminobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677230
4-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 844708
methyl 2-(3,3-diphenylpropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 4080664
ethyl 2-(5-bromopentanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 103601669
ethyl 2-[(3-acetamido-3-phenylpropanoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 55335290
3-[[4,5-dimethyl-2-(propanoylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033355

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid (CID 843835) is 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid is CCC(=O)Nc1sc(C)c(CC)c1C(=O)O.
What is the InChIKey of 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid?
The InChIKey is DGAFJNPMVSRNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-4-7-6(3)16-10(9(7)11(14)15)12-8(13)5-2/h4-5H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid?
4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(propanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 843835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).