2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide

C18H20ClNO2S — CID 2177892

IUPAC2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCc1ccccc1CSCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-4-2-3-5-15(14)13-23-11-10-20-18(21)12-22-17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyPHKWJEUMCZKSDT-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.08
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 2177892) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
PubChem CID2177892
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCc1ccccc1CSCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-4-2-3-5-15(14)13-23-11-10-20-18(21)12-22-17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyPHKWJEUMCZKSDT-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide (CID 2177892) is 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide is Cc1ccccc1CSCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is PHKWJEUMCZKSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-14-4-2-3-5-15(14)13-23-11-10-20-18(21)12-22-17-8-6-16(19)7-9-17/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]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-(4-chlorophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 2177892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).