4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid

C13H13NO3S2 — CID 28778288

IUPAC4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)Cc2ccsc2)c(C(=O)O)c1C
InChIInChI=1S/C13H13NO3S2/c1-7-8(2)19-12(11(7)13(16)17)14-10(15)5-9-3-4-18-6-9/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyIPMFAJYPHGSOAU-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.31
Rot. Bonds4

About 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid

4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid (PubChem CID 28778288) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid
PubChem CID28778288
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC Name4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)Cc2ccsc2)c(C(=O)O)c1C
InChIInChI=1S/C13H13NO3S2/c1-7-8(2)19-12(11(7)13(16)17)14-10(15)5-9-3-4-18-6-9/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyIPMFAJYPHGSOAU-UHFFFAOYSA-N
XLogP3.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 28858443
2-[(2-methoxyacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777210
2-[(3-ethylthiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 61389412
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
2-[[2-[acetyl(methyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 43356725
4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802404
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
4,5-dimethyl-2-(3-methylpentanoylamino)thiophene-3-carboxylic acid
CID 114873583
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
ethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8719684
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid (CID 28778288) is 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid is Cc1sc(NC(=O)Cc2ccsc2)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid?
The InChIKey is IPMFAJYPHGSOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-7-8(2)19-12(11(7)13(16)17)14-10(15)5-9-3-4-18-6-9/h3-4,6H,5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid?
4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2-thiophen-3-ylacetyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 28778288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).