N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide

C21H26N2O2S — CID 2201119

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(SCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-17-2-8-20(9-3-17)26-15-10-22-21(24)19-6-4-18(5-7-19)16-23-11-13-25-14-12-23/h2-9H,10-16H2,1H3,(H,22,24)
InChIKeyXCROGMBEEJSWLZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.35
Rot. Bonds7

About N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide

N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 2201119) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID2201119
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(SCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-17-2-8-20(9-3-17)26-15-10-22-21(24)19-6-4-18(5-7-19)16-23-11-13-25-14-12-23/h2-9H,10-16H2,1H3,(H,22,24)
InChIKeyXCROGMBEEJSWLZ-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Piperidine Derivative 3m
CID 14096766
(2-Benzylsulfanylphenyl)-morpholin-4-ylmethanone
CID 563441
1-(4-{[(4-Methylphenyl)thio]methyl}benzoyl)piperidine
CID 961997
2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2985265
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide
CID 4059372
4-cyano-N-(3-phenylsulfanylpropyl)benzamide
CID 4792267
[2-[(4-Fluorophenyl)methylsulfanyl]phenyl]-morpholin-4-ylmethanone
CID 778212
N-[3-(4-morpholinyl)propyl]-2-phenyl-2-(phenylthio)acetamide
CID 2862865
(Z)-4-methyl-N-(1-(3-methylthiophen-2-yl)-3-((3-morpholinopropyl)amino)-3-oxoprop-1-en-2-yl)benzamide
CID 2891946
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
N,N-Diethyl-4-[(4-methylsulfanyl-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10692042

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide (CID 2201119) is N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide is Cc1ccc(SCCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is XCROGMBEEJSWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-17-2-8-20(9-3-17)26-15-10-22-21(24)19-6-4-18(5-7-19)16-23-11-13-25-14-12-23/h2-9H,10-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 370.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 2201119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).