2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C20H23N3O3S — CID 2490997

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O3S/c1-15(24)21-16-6-8-17(9-7-16)27-14-20(25)22-18-4-2-3-5-19(18)23-10-12-26-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWUMKWUVWNBKPGM-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 2490997) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID2490997
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O3S/c1-15(24)21-16-6-8-17(9-7-16)27-14-20(25)22-18-4-2-3-5-19(18)23-10-12-26-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyWUMKWUVWNBKPGM-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.21
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-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 2490997) is 2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is WUMKWUVWNBKPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15(24)21-16-6-8-17(9-7-16)27-14-20(25)22-18-4-2-3-5-19(18)23-10-12-26-13-11-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.21, 6 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-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2490997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).