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

C19H22N2O2S — CID 2458170

IUPAC2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-15-4-2-3-5-18(15)24-14-19(22)20-16-6-8-17(9-7-16)21-10-12-23-13-11-21/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeySDHBFUCOEDIHSI-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.56
Rot. Bonds5

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

2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2458170) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2458170
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-15-4-2-3-5-18(15)24-14-19(22)20-16-6-8-17(9-7-16)21-10-12-23-13-11-21/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeySDHBFUCOEDIHSI-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.56
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

2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2337002
N-(4-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7751943
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 3164822
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
CID 4215609
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
2-[[5-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4149083
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60587672
2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 4798116
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 2458170) is 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccccc1SCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is SDHBFUCOEDIHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-15-4-2-3-5-18(15)24-14-19(22)20-16-6-8-17(9-7-16)21-10-12-23-13-11-21/h2-9H,10-14H2,1H3,(H,20,22).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2458170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).