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

C17H19NO3S — CID 4879668

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC
InChIInChI=1S/C17H19NO3S/c1-20-15-8-7-12(9-16(15)21-2)10-17(19)18-13-5-4-6-14(11-13)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)
InChIKeyBTWQQJSPCWAOAO-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.61
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 4879668) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID4879668
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC
InChIInChI=1S/C17H19NO3S/c1-20-15-8-7-12(9-16(15)21-2)10-17(19)18-13-5-4-6-14(11-13)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)
InChIKeyBTWQQJSPCWAOAO-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide (CID 4879668) is 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is BTWQQJSPCWAOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-15-8-7-12(9-16(15)21-2)10-17(19)18-13-5-4-6-14(11-13)22-3/h4-9,11H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.61, 6 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-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 4879668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).