4-methoxy-N-(2-phenylsulfanylethyl)benzamide

C16H17NO2S — CID 2250429

IUPAC4-methoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-19-14-9-7-13(8-10-14)16(18)17-11-12-20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyORQJIVSPWGJCOJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.22
Rot. Bonds6

About 4-methoxy-N-(2-phenylsulfanylethyl)benzamide

4-methoxy-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 2250429) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-methoxy-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-phenylsulfanylethyl)benzamide
PubChem CID2250429
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name4-methoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-19-14-9-7-13(8-10-14)16(18)17-11-12-20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyORQJIVSPWGJCOJ-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.22
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 4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-phenylsulfanylethyl)benzamide (CID 2250429) is 4-methoxy-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-phenylsulfanylethyl)benzamide is COc1ccc(C(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is ORQJIVSPWGJCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-14-9-7-13(8-10-14)16(18)17-11-12-20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-N-(2-phenylsulfanylethyl)benzamide?
4-methoxy-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 287.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 2250429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).