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

C12H16N2O4S2 — CID 39159146

IUPAC2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CS(=O)(=O)CC(N)=S)cc1
InChIInChI=1S/C12H16N2O4S2/c1-2-18-10-5-3-9(4-6-10)14-12(15)8-20(16,17)7-11(13)19/h3-6H,2,7-8H2,1H3,(H2,13,19)(H,14,15)
InChIKeyDQLQUYQMQWURIB-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.72
Rot. Bonds7

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

2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 39159146) has the molecular formula C12H16N2O4S2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide
PubChem CID39159146
Molecular FormulaC12H16N2O4S2
Molecular Weight316.40 g/mol
Exact Mass316.06
IUPAC Name2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CS(=O)(=O)CC(N)=S)cc1
InChIInChI=1S/C12H16N2O4S2/c1-2-18-10-5-3-9(4-6-10)14-12(15)8-20(16,17)7-11(13)19/h3-6H,2,7-8H2,1H3,(H2,13,19)(H,14,15)
InChIKeyDQLQUYQMQWURIB-UHFFFAOYSA-N
XLogP0.72
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 39159101
N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
CID 43316147
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
1-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide (CID 39159146) is 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CS(=O)(=O)CC(N)=S)cc1.
What is the InChIKey of 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is DQLQUYQMQWURIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S2/c1-2-18-10-5-3-9(4-6-10)14-12(15)8-20(16,17)7-11(13)19/h3-6H,2,7-8H2,1H3,(H2,13,19)(H,14,15).
What are the key properties of 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide?
2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 39159146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).