2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

C20H24N2O2S — CID 2591522

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C20H24N2O2S/c1-15-3-8-19(13-16(15)2)25-14-20(23)21-17-4-6-18(7-5-17)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyQGKBGZKIMCJJIJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.87
Rot. Bonds5

About 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2591522) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2591522
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C20H24N2O2S/c1-15-3-8-19(13-16(15)2)25-14-20(23)21-17-4-6-18(7-5-17)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyQGKBGZKIMCJJIJ-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
(E)-3-(4-(3-(methylamino)phenylthio)-2,3-bis(trifluoromethyl)phenyl)-1-morpholinoprop-2-en-1-one
CID 44579159
2-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 847697
N-[4-(acetylamino)phenyl]-2-[(4-methylphenyl)thio]acetamide
CID 893690
1-(3,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 2524092
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2616433
2-[(4-methylphenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide
CID 2948127
N-[3-fluoro-4-(4-methylpiperazino)phenyl]-2-[(4-methylphenyl)sulfanyl]acetamide
CID 3551477
2-(2-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4792203
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7352664
3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938968
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24980897

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 2591522) is 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is QGKBGZKIMCJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-3-8-19(13-16(15)2)25-14-20(23)21-17-4-6-18(7-5-17)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2591522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).