2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide

C15H14ClNO2S — CID 11558602

IUPAC2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c16-13-3-1-2-4-14(13)19-12-7-5-11(6-8-12)9-20-10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyNHCHXCVAERNZIB-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.85
Rot. Bonds6

About 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide

2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide (PubChem CID 11558602) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
PubChem CID11558602
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c16-13-3-1-2-4-14(13)19-12-7-5-11(6-8-12)9-20-10-15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyNHCHXCVAERNZIB-UHFFFAOYSA-N
XLogP3.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide?
The IUPAC name of 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide (CID 11558602) is 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide is NC(=O)CSCc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide?
The InChIKey is NHCHXCVAERNZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-13-3-1-2-4-14(13)19-12-7-5-11(6-8-12)9-20-10-15(17)18/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide?
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide has a molecular weight of 307.80 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 11558602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).