5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide

C15H15NO2S — CID 8866284

IUPAC5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H15NO2S/c1-10(12-6-4-3-5-7-12)16-15(18)14-9-8-13(19-14)11(2)17/h3-10H,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyPDTFAKXRWJUBFC-SNVBAGLBSA-N
MW273.36 g/mol
LogP3.44
Rot. Bonds4

About 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide

5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 8866284) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
PubChem CID8866284
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H15NO2S/c1-10(12-6-4-3-5-7-12)16-15(18)14-9-8-13(19-14)11(2)17/h3-10H,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyPDTFAKXRWJUBFC-SNVBAGLBSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide (CID 8866284) is 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)s1.
What is the InChIKey of 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is PDTFAKXRWJUBFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10(12-6-4-3-5-7-12)16-15(18)14-9-8-13(19-14)11(2)17/h3-10H,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide?
5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 8866284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).