4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid

C11H9NO3S2 — CID 114914762

IUPAC4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1ccsc1
InChIInChI=1S/C11H9NO3S2/c1-6-4-17-9(11(14)15)8(6)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyMODWHUOFFAKQCJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.07
Rot. Bonds3

About 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid

4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 114914762) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
PubChem CID114914762
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Name4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1ccsc1
InChIInChI=1S/C11H9NO3S2/c1-6-4-17-9(11(14)15)8(6)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyMODWHUOFFAKQCJ-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-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

3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 114915122
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914626
3-[(3-fluoro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914898
3-[(3-bromo-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914888
3-[(5-acetamidothiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914937
4-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114915095
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914998
3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914774

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid (CID 114914762) is 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)c1ccsc1.
What is the InChIKey of 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is MODWHUOFFAKQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c1-6-4-17-9(11(14)15)8(6)12-10(13)7-2-3-16-5-7/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid?
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 114914762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).