N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide

C17H18ClNO2S — CID 2281988

IUPACN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCSCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2S/c18-16-9-5-4-6-14(16)13-22-11-10-19-17(20)12-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20)
InChIKeyFORATQJKDDSNJS-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.77
Rot. Bonds8

About N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide (PubChem CID 2281988) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide
PubChem CID2281988
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCSCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2S/c18-16-9-5-4-6-14(16)13-22-11-10-19-17(20)12-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20)
InChIKeyFORATQJKDDSNJS-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.77
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 N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide (CID 2281988) is N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCSCc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide?
The InChIKey is FORATQJKDDSNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-16-9-5-4-6-14(16)13-22-11-10-19-17(20)12-21-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,19,20).
What are the key properties of N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide?
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide has a molecular weight of 335.86 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 2281988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).