5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid

C12H15NO3S — CID 16772054

IUPAC5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCC2)sc1C(=O)O
InChIInChI=1S/C12H15NO3S/c1-7-6-9(17-10(7)12(15)16)13-11(14)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyQNUWVMIRXLWJHM-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.88
Rot. Bonds3

About 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid

5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid (PubChem CID 16772054) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid
PubChem CID16772054
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCC2)sc1C(=O)O
InChIInChI=1S/C12H15NO3S/c1-7-6-9(17-10(7)12(15)16)13-11(14)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyQNUWVMIRXLWJHM-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid (CID 16772054) is 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)C2CCCC2)sc1C(=O)O.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid?
The InChIKey is QNUWVMIRXLWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-7-6-9(17-10(7)12(15)16)13-11(14)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid?
5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid has a molecular weight of 253.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16772054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).