4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide

C14H19NO2S — CID 111661538

IUPAC4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)sc1C
InChIInChI=1S/C14H19NO2S/c1-3-11-7-13(18-9(11)2)14(17)15-12-5-4-10(6-12)8-16/h4-5,7,10,12,16H,3,6,8H2,1-2H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyFQNQSKVBHAZKJO-CMPLNLGQSA-N
MW265.38 g/mol
LogP2.29
Rot. Bonds4

About 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide

4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide (PubChem CID 111661538) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide
PubChem CID111661538
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)sc1C
InChIInChI=1S/C14H19NO2S/c1-3-11-7-13(18-9(11)2)14(17)15-12-5-4-10(6-12)8-16/h4-5,7,10,12,16H,3,6,8H2,1-2H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyFQNQSKVBHAZKJO-CMPLNLGQSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide (CID 111661538) is 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)sc1C.
What is the InChIKey of 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is FQNQSKVBHAZKJO-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-11-7-13(18-9(11)2)14(17)15-12-5-4-10(6-12)8-16/h4-5,7,10,12,16H,3,6,8H2,1-2H3,(H,15,17)/t10-,12+/m0/s1.
What are the key properties of 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide?
4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 111661538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).