2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide

C14H20N2OS2 — CID 82182301

IUPAC2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CSCC(N)=S
InChIInChI=1S/C14H20N2OS2/c1-3-10-6-5-7-11(4-2)14(10)16-13(17)9-19-8-12(15)18/h5-7H,3-4,8-9H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyRQOOJJCVOQORHO-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.77
Rot. Bonds7

About 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide

2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide (PubChem CID 82182301) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
PubChem CID82182301
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CSCC(N)=S
InChIInChI=1S/C14H20N2OS2/c1-3-10-6-5-7-11(4-2)14(10)16-13(17)9-19-8-12(15)18/h5-7H,3-4,8-9H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyRQOOJJCVOQORHO-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 23964047
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 134064956
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 863621
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102896
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28631186
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide (CID 82182301) is 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CSCC(N)=S.
What is the InChIKey of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide?
The InChIKey is RQOOJJCVOQORHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-3-10-6-5-7-11(4-2)14(10)16-13(17)9-19-8-12(15)18/h5-7H,3-4,8-9H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide?
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide has a molecular weight of 296.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 82182301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).