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

C20H15ClN2O2S — CID 8978027

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(Cl)c1
InChIInChI=1S/C20H15ClN2O2S/c21-16-11-14(12-22)8-9-17(16)25-13-19(24)23-20(18-7-4-10-26-18)15-5-2-1-3-6-15/h1-11,20H,13H2,(H,23,24)/t20-/m0/s1
InChIKeyKERDUYZZTKCRNJ-FQEVSTJZSA-N
MW382.87 g/mol
LogP4.56
Rot. Bonds6

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

2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 8978027) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID8978027
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(Cl)c1
InChIInChI=1S/C20H15ClN2O2S/c21-16-11-14(12-22)8-9-17(16)25-13-19(24)23-20(18-7-4-10-26-18)15-5-2-1-3-6-15/h1-11,20H,13H2,(H,23,24)/t20-/m0/s1
InChIKeyKERDUYZZTKCRNJ-FQEVSTJZSA-N
XLogP4.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9012921
2-(4-cyano-2-ethoxyphenoxy)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55391592
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 121021409
2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
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-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9380947
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 16511688

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 8978027) is 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is N#Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is KERDUYZZTKCRNJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c21-16-11-14(12-22)8-9-17(16)25-13-19(24)23-20(18-7-4-10-26-18)15-5-2-1-3-6-15/h1-11,20H,13H2,(H,23,24)/t20-/m0/s1.
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 382.87 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 8978027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).