5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid

C10H13NO3S — CID 2314276

IUPAC5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-10(2,3)11-8(12)6-4-5-7(15-6)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyXBKGLUCPYPFKTE-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.97
Rot. Bonds2

About 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid

5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 2314276) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID2314276
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-10(2,3)11-8(12)6-4-5-7(15-6)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14)
InChIKeyXBKGLUCPYPFKTE-UHFFFAOYSA-N
XLogP1.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid (CID 2314276) is 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid is CC(C)(C)NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is XBKGLUCPYPFKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(2,3)11-8(12)6-4-5-7(15-6)9(13)14/h4-5H,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid?
5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2314276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).