2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

C17H17ClFNO2S — CID 2233748

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2S/c1-22-13-7-5-12(6-8-13)9-20-17(21)11-23-10-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyPKYLRNXKODMHOE-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.04
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2233748) has the molecular formula C17H17ClFNO2S and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2233748
Molecular FormulaC17H17ClFNO2S
Molecular Weight353.85 g/mol
Exact Mass353.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2S/c1-22-13-7-5-12(6-8-13)9-20-17(21)11-23-10-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyPKYLRNXKODMHOE-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 2233748) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PKYLRNXKODMHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2S/c1-22-13-7-5-12(6-8-13)9-20-17(21)11-23-10-14-15(18)3-2-4-16(14)19/h2-8H,9-11H2,1H3,(H,20,21).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 353.85 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2233748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).