2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H19NO3S — CID 82759881

IUPAC2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)s1
InChIInChI=1S/C14H19NO3S/c1-3-9-6-7-10(19-9)12(16)15-11-5-4-8-14(11,2)13(17)18/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBJARQCIYUAVNBC-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.68
Rot. Bonds4

About 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82759881) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82759881
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)s1
InChIInChI=1S/C14H19NO3S/c1-3-9-6-7-10(19-9)12(16)15-11-5-4-8-14(11,2)13(17)18/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBJARQCIYUAVNBC-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82759881) is 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is CCc1ccc(C(=O)NC2CCCC2(C)C(=O)O)s1.
What is the InChIKey of 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is BJARQCIYUAVNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-9-6-7-10(19-9)12(16)15-11-5-4-8-14(11,2)13(17)18/h6-7,11H,3-5,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82759881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).