2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide

C12H16N2O2S2 — CID 39159101

IUPAC2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSCC(N)=S)cc1
InChIInChI=1S/C12H16N2O2S2/c1-2-16-10-5-3-9(4-6-10)14-12(15)8-18-7-11(13)17/h3-6H,2,7-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyGMCQENMGJWQPAV-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.04
Rot. Bonds7

About 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide

2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 39159101) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID39159101
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSCC(N)=S)cc1
InChIInChI=1S/C12H16N2O2S2/c1-2-16-10-5-3-9(4-6-10)14-12(15)8-18-7-11(13)17/h3-6H,2,7-8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyGMCQENMGJWQPAV-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
CID 23408886
2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide
CID 39159146
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 82181056
ethyl 2-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylacetate
CID 650071
N-(4-ethoxyphenyl)-2-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 28527065
2-(cyanomethylsulfanyl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 43069042
N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
CID 43316147
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40824439
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 31214668
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 39159101) is 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSCC(N)=S)cc1.
What is the InChIKey of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is GMCQENMGJWQPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-2-16-10-5-3-9(4-6-10)14-12(15)8-18-7-11(13)17/h3-6H,2,7-8H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 284.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 39159101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).