2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

C19H23NO3S — CID 3665998

IUPAC2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1cccc(CSCC(=O)NCCc2ccccc2)c1OC
InChIInChI=1S/C19H23NO3S/c1-22-17-10-6-9-16(19(17)23-2)13-24-14-18(21)20-12-11-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyMLRFILDPOJPUTQ-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.30
Rot. Bonds9

About 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 3665998) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID3665998
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1cccc(CSCC(=O)NCCc2ccccc2)c1OC
InChIInChI=1S/C19H23NO3S/c1-22-17-10-6-9-16(19(17)23-2)13-24-14-18(21)20-12-11-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyMLRFILDPOJPUTQ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 3665998) is 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is COc1cccc(CSCC(=O)NCCc2ccccc2)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is MLRFILDPOJPUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-22-17-10-6-9-16(19(17)23-2)13-24-14-18(21)20-12-11-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3665998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).