2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide

C19H24N2O4S2 — CID 2896970

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S2/c1-3-25-18-12-8-7-11-17(18)21(27(2,23)24)15-19(22)20-13-14-26-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyZGURXFGYWGGHJN-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.76
Rot. Bonds10

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 2896970) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
PubChem CID2896970
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O4S2/c1-3-25-18-12-8-7-11-17(18)21(27(2,23)24)15-19(22)20-13-14-26-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyZGURXFGYWGGHJN-UHFFFAOYSA-N
XLogP2.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide (CID 2896970) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide is CCOc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is ZGURXFGYWGGHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-3-25-18-12-8-7-11-17(18)21(27(2,23)24)15-19(22)20-13-14-26-16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 408.55 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 2896970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).