N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide

C13H11NO3S — CID 3126650

IUPACN-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(O)C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H11NO3S/c15-11(9-5-2-1-3-6-9)13(17)14-12(16)10-7-4-8-18-10/h1-8,13,17H,(H,14,16)
InChIKeyNKJGETIHHKWSML-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.68
Rot. Bonds4

About N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide

N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide (PubChem CID 3126650) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide
PubChem CID3126650
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC NameN-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NC(O)C(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H11NO3S/c15-11(9-5-2-1-3-6-9)13(17)14-12(16)10-7-4-8-18-10/h1-8,13,17H,(H,14,16)
InChIKeyNKJGETIHHKWSML-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide (CID 3126650) is N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide is O=C(NC(O)C(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is NKJGETIHHKWSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-11(9-5-2-1-3-6-9)13(17)14-12(16)10-7-4-8-18-10/h1-8,13,17H,(H,14,16).
What are the key properties of N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide?
N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-oxo-2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3126650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).