N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide

C13H13NO2S — CID 52943427

IUPACN-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccsc1CO
InChIInChI=1S/C13H13NO2S/c15-9-12-11(6-7-17-12)14-13(16)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16)
InChIKeyRBTSJYWVZUKXCH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.42
Rot. Bonds4

About N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide

N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide (PubChem CID 52943427) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide
PubChem CID52943427
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccsc1CO
InChIInChI=1S/C13H13NO2S/c15-9-12-11(6-7-17-12)14-13(16)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16)
InChIKeyRBTSJYWVZUKXCH-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide (CID 52943427) is N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccsc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide?
The InChIKey is RBTSJYWVZUKXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-9-12-11(6-7-17-12)14-13(16)8-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16).
What are the key properties of N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide?
N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide has a molecular weight of 247.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)thiophen-3-yl]-2-phenylacetamide is sourced from PubChem (CID 52943427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).