2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide

C18H20ClNO2S — CID 38958373

IUPAC2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-2-4-15(5-3-14)12-20-18(21)13-23-11-10-22-17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyJOKZEXZGKJDXNK-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.08
Rot. Bonds8

About 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide

2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 38958373) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID38958373
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSCCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-2-4-15(5-3-14)12-20-18(21)13-23-11-10-22-17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyJOKZEXZGKJDXNK-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
CID 31088989
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8928706
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
CID 119773408
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide
CID 21367179
3-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 4064424
N-[(4-chlorophenyl)methyl]-2-(2-methylsulfonylethylsulfanyl)acetamide
CID 56782791
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 2662806
2-[5-[(4-chlorophenoxy)methyl]-3-methyltriazol-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 118985381
N-(3-methylbutan-2-yl)-2-[2-(4-methylphenoxy)ethylsulfanyl]acetamide
CID 134016910

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide (CID 38958373) is 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSCCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is JOKZEXZGKJDXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-14-2-4-15(5-3-14)12-20-18(21)13-23-11-10-22-17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 349.88 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 38958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).