2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide

C14H20N2OS2 — CID 49365274

IUPAC2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
SMILESCSCC(=O)Nc1ccc(N2CCSCC2)cc1C
InChIInChI=1S/C14H20N2OS2/c1-11-9-12(16-5-7-19-8-6-16)3-4-13(11)15-14(17)10-18-2/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyNQKSKAAVWKVZFN-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.85
Rot. Bonds4

About 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide

2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide (PubChem CID 49365274) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
PubChem CID49365274
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
SMILESCSCC(=O)Nc1ccc(N2CCSCC2)cc1C
InChIInChI=1S/C14H20N2OS2/c1-11-9-12(16-5-7-19-8-6-16)3-4-13(11)15-14(17)10-18-2/h3-4,9H,5-8,10H2,1-2H3,(H,15,17)
InChIKeyNQKSKAAVWKVZFN-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.85
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-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
CID 49364541
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
1-(1,3-benzodioxol-5-yl)-3-(2-methyl-4-thiomorpholin-4-ylphenyl)urea
CID 49471359
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 17394081
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24571057
2-(4-hydroxypiperidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 39983128
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 37252743
1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)-3-(2-methyl-4-thiomorpholin-4-ylphenyl)urea
CID 95788925

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide (CID 49365274) is 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide is CSCC(=O)Nc1ccc(N2CCSCC2)cc1C.
What is the InChIKey of 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide?
The InChIKey is NQKSKAAVWKVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-11-9-12(16-5-7-19-8-6-16)3-4-13(11)15-14(17)10-18-2/h3-4,9H,5-8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide?
2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide has a molecular weight of 296.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 49365274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).