(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide

C16H16N2O2S — CID 124616555

IUPAC(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide
SMILESCCc1cc(C#N)c(NC(=O)[C@@H](OC)c2ccccc2)s1
InChIInChI=1S/C16H16N2O2S/c1-3-13-9-12(10-17)16(21-13)18-15(19)14(20-2)11-7-5-4-6-8-11/h4-9,14H,3H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWPIBFKHXJMCMEO-AWEZNQCLSA-N
MW300.38 g/mol
LogP3.51
Rot. Bonds5

About (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide

(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide (PubChem CID 124616555) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide
PubChem CID124616555
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide
SMILESCCc1cc(C#N)c(NC(=O)[C@@H](OC)c2ccccc2)s1
InChIInChI=1S/C16H16N2O2S/c1-3-13-9-12(10-17)16(21-13)18-15(19)14(20-2)11-7-5-4-6-8-11/h4-9,14H,3H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyWPIBFKHXJMCMEO-AWEZNQCLSA-N
XLogP3.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide (CID 124616555) is (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide is CCc1cc(C#N)c(NC(=O)[C@@H](OC)c2ccccc2)s1.
What is the InChIKey of (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is WPIBFKHXJMCMEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-13-9-12(10-17)16(21-13)18-15(19)14(20-2)11-7-5-4-6-8-11/h4-9,14H,3H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide?
(2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 300.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyano-5-ethylthiophen-2-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 124616555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).