2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide

C16H13ClN2O2S — CID 7816078

IUPAC2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
SMILESN#CCSc1ccccc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2S/c17-12-5-1-3-7-14(12)21-11-16(20)19-13-6-2-4-8-15(13)22-10-9-18/h1-8H,10-11H2,(H,19,20)
InChIKeyGXQZZGPBXHUICV-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.97
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide

2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide (PubChem CID 7816078) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
PubChem CID7816078
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
SMILESN#CCSc1ccccc1NC(=O)COc1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2S/c17-12-5-1-3-7-14(12)21-11-16(20)19-13-6-2-4-8-15(13)22-10-9-18/h1-8H,10-11H2,(H,19,20)
InChIKeyGXQZZGPBXHUICV-UHFFFAOYSA-N
XLogP3.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 7859296
2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 2594661
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 7965502
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-methoxybenzoate
CID 7485676
2-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 29386468
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724935
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7764949
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8010136
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717374
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 9306403
4-O-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239639

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide (CID 7816078) is 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide is N#CCSc1ccccc1NC(=O)COc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The InChIKey is GXQZZGPBXHUICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-12-5-1-3-7-14(12)21-11-16(20)19-13-6-2-4-8-15(13)22-10-9-18/h1-8H,10-11H2,(H,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide has a molecular weight of 332.81 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 7816078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).