3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide

C14H12N2O2S — CID 90499972

IUPAC3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)c2cccs2)c1
InChIInChI=1S/C14H12N2O2S/c15-8-10-3-1-4-11(7-10)14(18)16-9-12(17)13-5-2-6-19-13/h1-7,12,17H,9H2,(H,16,18)
InChIKeyCNWLQLJWWNPBKE-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.08
Rot. Bonds4

About 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide

3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide (PubChem CID 90499972) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
PubChem CID90499972
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESN#Cc1cccc(C(=O)NCC(O)c2cccs2)c1
InChIInChI=1S/C14H12N2O2S/c15-8-10-3-1-4-11(7-10)14(18)16-9-12(17)13-5-2-6-19-13/h1-7,12,17H,9H2,(H,16,18)
InChIKeyCNWLQLJWWNPBKE-UHFFFAOYSA-N
XLogP2.08
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
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3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
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3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
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3-cyano-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
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3-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 122264606
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide (CID 90499972) is 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide is N#Cc1cccc(C(=O)NCC(O)c2cccs2)c1.
What is the InChIKey of 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The InChIKey is CNWLQLJWWNPBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-8-10-3-1-4-11(7-10)14(18)16-9-12(17)13-5-2-6-19-13/h1-7,12,17H,9H2,(H,16,18).
What are the key properties of 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide has a molecular weight of 272.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90499972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).