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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Related Compounds

N-(2-morpholin-4-ylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 2084437
2-(2-Methoxy-ethylamino)-1-phenothiazin-10-yl-ethanone
CID 3215288
N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
2-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 847697
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
N-[3-fluoro-4-(4-methylpiperazino)phenyl]-2-(phenylsulfanyl)acetamide
CID 3767520
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3900118
N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
CID 4258041
N-[4-[(2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
CID 4786369
2-(2-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4792203
N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
CID 4840256

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).