N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide

C17H18ClNOS — CID 2278688

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c18-16-8-6-15(7-9-16)13-21-11-10-19-17(20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyFFVZZIATZBPJJZ-UHFFFAOYSA-N
MW319.86 g/mol
LogP3.93
Rot. Bonds7

About N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide (PubChem CID 2278688) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide
PubChem CID2278688
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNOS/c18-16-8-6-15(7-9-16)13-21-11-10-19-17(20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyFFVZZIATZBPJJZ-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide (CID 2278688) is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCSCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide?
The InChIKey is FFVZZIATZBPJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c18-16-8-6-15(7-9-16)13-21-11-10-19-17(20)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide has a molecular weight of 319.86 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 2278688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).