2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide

C24H26N2O4S2 — CID 2267205

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S2/c1-30-23-15-9-8-14-22(23)26(32(28,29)21-12-6-3-7-13-21)18-24(27)25-16-17-31-19-20-10-4-2-5-11-20/h2-15H,16-19H2,1H3,(H,25,27)
InChIKeyCGAAUWVRQYDDNW-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.94
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide (PubChem CID 2267205) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide
PubChem CID2267205
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S2/c1-30-23-15-9-8-14-22(23)26(32(28,29)21-12-6-3-7-13-21)18-24(27)25-16-17-31-19-20-10-4-2-5-11-20/h2-15H,16-19H2,1H3,(H,25,27)
InChIKeyCGAAUWVRQYDDNW-UHFFFAOYSA-N
XLogP3.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.94
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-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide (CID 2267205) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide is COc1ccccc1N(CC(=O)NCCSCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide?
The InChIKey is CGAAUWVRQYDDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-30-23-15-9-8-14-22(23)26(32(28,29)21-12-6-3-7-13-21)18-24(27)25-16-17-31-19-20-10-4-2-5-11-20/h2-15H,16-19H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide has a molecular weight of 470.62 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-benzylsulfanylethyl)acetamide is sourced from PubChem (CID 2267205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).