2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide

C15H14ClNO2S — CID 956352

IUPAC2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-20-14-5-3-2-4-13(14)17-15(18)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyKSBFCHRRUZAEGM-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide

2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 956352) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID956352
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-20-14-5-3-2-4-13(14)17-15(18)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyKSBFCHRRUZAEGM-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide, N-(4-(aminosulfonyl)phenyl)-2-(4-chlorophenoxy)-
CID 151533
N-(2-chlorophenyl)-2-phenoxyacetamide
CID 309534
N-(4-chlorophenyl)-2-phenoxypropanamide
CID 3140491
2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 1364321
N-(2-Chlorophenyl)-2-(4-methoxyphenoxy)acetamide
CID 580289
N-(3-chlorophenyl)-2-phenoxyacetamide
CID 309613
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)acetamide
CID 809053
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]acetamide
CID 1486402
2-(2,4-dichlorophenoxy)-N-[2-(methylthio)phenyl]acetamide
CID 2500772
N-(5-chloro-2-methoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 971970
2-(4-Chlorophenoxy)-n-(2-chlorophenyl)acetamide
CID 234244
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide
CID 900788

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide (CID 956352) is 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is KSBFCHRRUZAEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-20-14-5-3-2-4-13(14)17-15(18)10-19-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 307.80 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 956352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).