N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide

C19H15NO3S — CID 75447520

IUPACN-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(O)c(NC(=O)c2sccc2-c2ccccc2)c1
InChIInChI=1S/C19H15NO3S/c1-12(21)14-7-8-17(22)16(11-14)20-19(23)18-15(9-10-24-18)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,20,23)
InChIKeyPZCTVRXBXAVJHZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.58
Rot. Bonds4

About N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide

N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide (PubChem CID 75447520) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide
PubChem CID75447520
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC NameN-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide
SMILESCC(=O)c1ccc(O)c(NC(=O)c2sccc2-c2ccccc2)c1
InChIInChI=1S/C19H15NO3S/c1-12(21)14-7-8-17(22)16(11-14)20-19(23)18-15(9-10-24-18)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,20,23)
InChIKeyPZCTVRXBXAVJHZ-UHFFFAOYSA-N
XLogP4.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide (CID 75447520) is N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide is CC(=O)c1ccc(O)c(NC(=O)c2sccc2-c2ccccc2)c1.
What is the InChIKey of N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is PZCTVRXBXAVJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-12(21)14-7-8-17(22)16(11-14)20-19(23)18-15(9-10-24-18)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,20,23).
What are the key properties of N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide?
N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-hydroxyphenyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 75447520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).