2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide

C18H20ClNO2S — CID 33105271

IUPAC2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2S/c1-13-7-8-16(22-2)14(11-13)9-10-20-18(21)12-23-17-6-4-3-5-15(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyDUGGHOFGSJKNEA-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.11
Rot. Bonds7

About 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 33105271) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID33105271
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2S/c1-13-7-8-16(22-2)14(11-13)9-10-20-18(21)12-23-17-6-4-3-5-15(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyDUGGHOFGSJKNEA-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 38712022
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]acetamide
CID 8928835
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 33105271) is 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1CCNC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is DUGGHOFGSJKNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-13-7-8-16(22-2)14(11-13)9-10-20-18(21)12-23-17-6-4-3-5-15(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide has a molecular weight of 349.88 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 33105271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).