2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide

C14H20N2OS2 — CID 106327305

IUPAC2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NCCN1CCSCC1
InChIInChI=1S/C14H20N2OS2/c17-14(11-12-1-3-13(18)4-2-12)15-5-6-16-7-9-19-10-8-16/h1-4,18H,5-11H2,(H,15,17)
InChIKeyCCXNCSGJACOYKQ-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.68
Rot. Bonds5

About 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide

2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide (PubChem CID 106327305) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
PubChem CID106327305
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)NCCN1CCSCC1
InChIInChI=1S/C14H20N2OS2/c17-14(11-12-1-3-13(18)4-2-12)15-5-6-16-7-9-19-10-8-16/h1-4,18H,5-11H2,(H,15,17)
InChIKeyCCXNCSGJACOYKQ-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106326607
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 120643105
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106325273
2,3-dihydroxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 107325487
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
4-carbamothioyl-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106325595

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide (CID 106327305) is 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide is O=C(Cc1ccc(S)cc1)NCCN1CCSCC1.
What is the InChIKey of 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
The InChIKey is CCXNCSGJACOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c17-14(11-12-1-3-13(18)4-2-12)15-5-6-16-7-9-19-10-8-16/h1-4,18H,5-11H2,(H,15,17).
What are the key properties of 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide?
2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide has a molecular weight of 296.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide is sourced from PubChem (CID 106327305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).