2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C20H24N2O4S — CID 2099133

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C20H24N2O4S/c1-14(23)22-16-5-7-17(8-6-16)27-13-20(24)21-11-10-15-4-9-18(25-2)19(12-15)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFREDEJBUXGZAKP-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.11
Rot. Bonds9

About 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 2099133) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID2099133
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C20H24N2O4S/c1-14(23)22-16-5-7-17(8-6-16)27-13-20(24)21-11-10-15-4-9-18(25-2)19(12-15)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyFREDEJBUXGZAKP-UHFFFAOYSA-N
XLogP3.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 2099133) is 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CSc2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is FREDEJBUXGZAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(23)22-16-5-7-17(8-6-16)27-13-20(24)21-11-10-15-4-9-18(25-2)19(12-15)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2099133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).