2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide

C19H23NO3S — CID 24818287

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCSc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3S/c1-22-17-10-9-15(13-18(17)23-2)14-19(21)20-11-6-12-24-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,20,21)
InChIKeyUGRGILJVLVSWMY-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.54
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide

2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide (PubChem CID 24818287) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
PubChem CID24818287
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCSc2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3S/c1-22-17-10-9-15(13-18(17)23-2)14-19(21)20-11-6-12-24-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,20,21)
InChIKeyUGRGILJVLVSWMY-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide (CID 24818287) is 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide is COc1ccc(CC(=O)NCCCSc2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide?
The InChIKey is UGRGILJVLVSWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-22-17-10-9-15(13-18(17)23-2)14-19(21)20-11-6-12-24-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide is sourced from PubChem (CID 24818287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).