3-(methylcarbamoyl)thiophene-2-carboxylic acid

C7H7NO3S — CID 129267233

IUPAC3-(methylcarbamoyl)thiophene-2-carboxylic acid
SMILESCNC(=O)c1ccsc1C(=O)O
InChIInChI=1S/C7H7NO3S/c1-8-6(9)4-2-3-12-5(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyUUOZSGFIAPNZAU-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.81
Rot. Bonds2

About 3-(methylcarbamoyl)thiophene-2-carboxylic acid

3-(methylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 129267233) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 3-(methylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(methylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID129267233
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name3-(methylcarbamoyl)thiophene-2-carboxylic acid
SMILESCNC(=O)c1ccsc1C(=O)O
InChIInChI=1S/C7H7NO3S/c1-8-6(9)4-2-3-12-5(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
InChIKeyUUOZSGFIAPNZAU-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetylthiophene-2-carboxylic acid
CID 818927
5-(methylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 20548798
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
3-(1-ethoxyethenyl)thiophene-2-carboxylic acid
CID 151827123
3-boronothiophene-2-carboxylic acid
CID 45074560
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
2-(phenylcarbamoyl)thiophene-3-carboxylic acid
CID 15022369
3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
ethane;3-fluorothiophene-2-carboxylic acid
CID 142472741
2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 3686157
N-methyl-4H-thieno[3,2-b]pyrrole-6-carboxamide
CID 142514452

Frequently Asked Questions

What is the IUPAC name of 3-(methylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(methylcarbamoyl)thiophene-2-carboxylic acid (CID 129267233) is 3-(methylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(methylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(methylcarbamoyl)thiophene-2-carboxylic acid is CNC(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(methylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is UUOZSGFIAPNZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c1-8-6(9)4-2-3-12-5(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-(methylcarbamoyl)thiophene-2-carboxylic acid?
3-(methylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 185.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 129267233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).