N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide

C12H13NO2S2 — CID 52992593

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(O)c1ccsc1
InChIInChI=1S/C12H13NO2S2/c14-11(9-3-5-16-8-9)7-13-12(15)6-10-2-1-4-17-10/h1-5,8,11,14H,6-7H2,(H,13,15)
InChIKeyZFNHLKUUCQOHSX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide (PubChem CID 52992593) has the molecular formula C12H13NO2S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide
PubChem CID52992593
Molecular FormulaC12H13NO2S2
Molecular Weight267.37 g/mol
Exact Mass267.04
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(O)c1ccsc1
InChIInChI=1S/C12H13NO2S2/c14-11(9-3-5-16-8-9)7-13-12(15)6-10-2-1-4-17-10/h1-5,8,11,14H,6-7H2,(H,13,15)
InChIKeyZFNHLKUUCQOHSX-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide (CID 52992593) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZFNHLKUUCQOHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c14-11(9-3-5-16-8-9)7-13-12(15)6-10-2-1-4-17-10/h1-5,8,11,14H,6-7H2,(H,13,15).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 267.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 52992593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).