2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide

C17H17Cl2NO2S — CID 112766497

IUPAC2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2NO2S/c1-22-15-8-3-2-5-12(15)9-10-20-16(21)11-23-17-13(18)6-4-7-14(17)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyDUBUDQNJQSNYJO-UHFFFAOYSA-N
MW370.30 g/mol
LogP4.45
Rot. Bonds7

About 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 112766497) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID112766497
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2NO2S/c1-22-15-8-3-2-5-12(15)9-10-20-16(21)11-23-17-13(18)6-4-7-14(17)19/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyDUBUDQNJQSNYJO-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33105271
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 34501172
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594453
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 34504518

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 112766497) is 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CSc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is DUBUDQNJQSNYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c1-22-15-8-3-2-5-12(15)9-10-20-16(21)11-23-17-13(18)6-4-7-14(17)19/h2-8H,9-11H2,1H3,(H,20,21).
What are the key properties of 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 370.30 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 112766497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).