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

C13H17NO3S — CID 68735854

IUPAC5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid
SMILESCCc1cc(NC(=O)C2CCCC2)sc1C(=O)O
InChIInChI=1S/C13H17NO3S/c1-2-8-7-10(18-11(8)13(16)17)14-12(15)9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyJWFSNXAOVSBWSV-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.14
Rot. Bonds4

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

5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid (PubChem CID 68735854) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid
PubChem CID68735854
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid
SMILESCCc1cc(NC(=O)C2CCCC2)sc1C(=O)O
InChIInChI=1S/C13H17NO3S/c1-2-8-7-10(18-11(8)13(16)17)14-12(15)9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyJWFSNXAOVSBWSV-UHFFFAOYSA-N
XLogP3.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 5-(cyclobutanecarboxamido)-3-methylthiophene-2-carboxylate
CID 2337096
Ethyl 3-methyl-5-[(5-methylthiophene-2-carbonyl)amino]thiophene-2-carboxylate
CID 2352196
Ethyl 5-(cyclopentanecarbonylcarbamothioylamino)-3-methylthiophene-2-carboxylate
CID 2375640
Ethyl 3-methyl-5-pivalamidothiophene-2-carboxylate
CID 4091038
5-{[5-Ethyl-3-(methoxycarbonyl)thien-2-yl]amino}-5-oxopentanoic acid
CID 757007
Ethyl 5-(cyclopropanecarboxamido)-3-methylthiophene-2-carboxylate
CID 5310206
Ethyl 5-acetamido-3-methylthiophene-2-carboxylate
CID 1215212
2-Benzamido-5-methylthiophene-3-carboxylic acid
CID 760003
5-(Acetylamino)thiophene-2-carboxylic acid
CID 5200375
5-Cyclopropaneamido-3-methylthiophene-2-carboxylic acid
CID 16227289
5-Cyclopropaneamidothiophene-2-carboxylic acid
CID 16227467
5-(2-Iodobenzamido)-3-methylthiophene-2-carboxylic acid
CID 16771598

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid?
The IUPAC name of 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid (CID 68735854) is 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid is CCc1cc(NC(=O)C2CCCC2)sc1C(=O)O.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid?
The InChIKey is JWFSNXAOVSBWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-8-7-10(18-11(8)13(16)17)14-12(15)9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid?
5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-3-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 68735854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).