2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide

C18H19Cl2NO2S — CID 99958957

IUPAC2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO2S/c1-2-23-17-6-4-3-5-14(17)10-21-18(22)12-24-11-13-7-8-15(19)16(20)9-13/h3-9H,2,10-12H2,1H3,(H,21,22)
InChIKeyWEULCYNUNXPWHV-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.94
Rot. Bonds8

About 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide (PubChem CID 99958957) has the molecular formula C18H19Cl2NO2S and a molecular weight of 384.33 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide
PubChem CID99958957
Molecular FormulaC18H19Cl2NO2S
Molecular Weight384.33 g/mol
Exact Mass383.05
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO2S/c1-2-23-17-6-4-3-5-14(17)10-21-18(22)12-24-11-13-7-8-15(19)16(20)9-13/h3-9H,2,10-12H2,1H3,(H,21,22)
InChIKeyWEULCYNUNXPWHV-UHFFFAOYSA-N
XLogP4.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 34501172
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92686269
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102555
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
CID 3379552
N-[(2-chlorophenyl)methyl]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 126154095
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-heptylacetamide
CID 17309862
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 3163440
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 9301227
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide (CID 99958957) is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide is CCOc1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The InChIKey is WEULCYNUNXPWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2S/c1-2-23-17-6-4-3-5-14(17)10-21-18(22)12-24-11-13-7-8-15(19)16(20)9-13/h3-9H,2,10-12H2,1H3,(H,21,22).
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide?
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide has a molecular weight of 384.33 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 99958957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).