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

C21H22N2O4S2 — CID 2288571

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C21H22N2O4S2/c24-21(22-13-15-28-17-19-10-7-14-27-19)16-23(18-8-3-1-4-9-18)29(25,26)20-11-5-2-6-12-20/h1-12,14H,13,15-17H2,(H,22,24)
InChIKeyWVUYTFSQXSEIEM-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.52
Rot. Bonds10

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

2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2288571) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2288571
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C21H22N2O4S2/c24-21(22-13-15-28-17-19-10-7-14-27-19)16-23(18-8-3-1-4-9-18)29(25,26)20-11-5-2-6-12-20/h1-12,14H,13,15-17H2,(H,22,24)
InChIKeyWVUYTFSQXSEIEM-UHFFFAOYSA-N
XLogP3.52
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.52
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)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2288571) is 2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCCSCc1ccco1.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is WVUYTFSQXSEIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c24-21(22-13-15-28-17-19-10-7-14-27-19)16-23(18-8-3-1-4-9-18)29(25,26)20-11-5-2-6-12-20/h1-12,14H,13,15-17H2,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2288571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).