2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

C20H16N2O2S — CID 9012921

IUPAC2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C20H16N2O2S/c21-13-15-8-10-17(11-9-15)24-14-19(23)22-20(18-7-4-12-25-18)16-5-2-1-3-6-16/h1-12,20H,14H2,(H,22,23)/t20-/m0/s1
InChIKeyCHOCGHBCWRXEHP-FQEVSTJZSA-N
MW348.43 g/mol
LogP3.90
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 9012921) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID9012921
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C20H16N2O2S/c21-13-15-8-10-17(11-9-15)24-14-19(23)22-20(18-7-4-12-25-18)16-5-2-1-3-6-16/h1-12,20H,14H2,(H,22,23)/t20-/m0/s1
InChIKeyCHOCGHBCWRXEHP-FQEVSTJZSA-N
XLogP3.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8978027
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
methyl (3S)-3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 94175254
methyl (3R)-3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 94175255
methyl 3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 47019236
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 9012921) is 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is N#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is CHOCGHBCWRXEHP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16N2O2S/c21-13-15-8-10-17(11-9-15)24-14-19(23)22-20(18-7-4-12-25-18)16-5-2-1-3-6-16/h1-12,20H,14H2,(H,22,23)/t20-/m0/s1.
What are the key properties of 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 9012921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).