2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C23H26N2O5S2 — CID 2914425

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N2O5S2/c1-2-29-22-13-7-6-12-21(22)25(32(27,28)20-10-4-3-5-11-20)17-23(26)24-14-16-31-18-19-9-8-15-30-19/h3-13,15H,2,14,16-18H2,1H3,(H,24,26)
InChIKeyDHXLVBKBSKZPFB-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.92
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2914425) has the molecular formula C23H26N2O5S2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2914425
Molecular FormulaC23H26N2O5S2
Molecular Weight474.60 g/mol
Exact Mass474.13
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N2O5S2/c1-2-29-22-13-7-6-12-21(22)25(32(27,28)20-10-4-3-5-11-20)17-23(26)24-14-16-31-18-19-9-8-15-30-19/h3-13,15H,2,14,16-18H2,1H3,(H,24,26)
InChIKeyDHXLVBKBSKZPFB-UHFFFAOYSA-N
XLogP3.92
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2914425) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is CCOc1ccccc1N(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is DHXLVBKBSKZPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S2/c1-2-29-22-13-7-6-12-21(22)25(32(27,28)20-10-4-3-5-11-20)17-23(26)24-14-16-31-18-19-9-8-15-30-19/h3-13,15H,2,14,16-18H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 474.60 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2914425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).