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

C13H13NO2S — CID 2812766

IUPACN-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H13NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h1-8,11,15H,9H2,(H,14,16)
InChIKeySODWLFGVFNKBBJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.21
Rot. Bonds4

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

N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide (PubChem CID 2812766) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide
PubChem CID2812766
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cccs1
InChIInChI=1S/C13H13NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h1-8,11,15H,9H2,(H,14,16)
InChIKeySODWLFGVFNKBBJ-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide (CID 2812766) is N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide is O=C(NCC(O)c1ccccc1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is SODWLFGVFNKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-11(10-5-2-1-3-6-10)9-14-13(16)12-7-4-8-17-12/h1-8,11,15H,9H2,(H,14,16).
What are the key properties of N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide?
N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 2812766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).