2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide

C17H15ClN2O2S — CID 2594661

IUPAC2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2SCC#N)ccc1Cl
InChIInChI=1S/C17H15ClN2O2S/c1-12-10-13(6-7-14(12)18)22-11-17(21)20-15-4-2-3-5-16(15)23-9-8-19/h2-7,10H,9,11H2,1H3,(H,20,21)
InChIKeyRRZWADVZUJZDFM-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide (PubChem CID 2594661) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
PubChem CID2594661
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2SCC#N)ccc1Cl
InChIInChI=1S/C17H15ClN2O2S/c1-12-10-13(6-7-14(12)18)22-11-17(21)20-15-4-2-3-5-16(15)23-9-8-19/h2-7,10H,9,11H2,1H3,(H,20,21)
InChIKeyRRZWADVZUJZDFM-UHFFFAOYSA-N
XLogP4.28
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 7816078
methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 7965502
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843288
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7764949
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724935
2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 7859296
2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130812
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 95733640
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
2-(4-chloro-3-methylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 17134013

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide (CID 2594661) is 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccccc2SCC#N)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The InChIKey is RRZWADVZUJZDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-12-10-13(6-7-14(12)18)22-11-17(21)20-15-4-2-3-5-16(15)23-9-8-19/h2-7,10H,9,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide has a molecular weight of 346.84 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 2594661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).