2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C24H28N2O5S2 — CID 2915854

IUPAC2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N2O5S2/c1-3-30-21-10-8-20(9-11-21)26(33(28,29)23-12-6-19(2)7-13-23)17-24(27)25-14-16-32-18-22-5-4-15-31-22/h4-13,15H,3,14,16-18H2,1-2H3,(H,25,27)
InChIKeyWNSXMJRGNSCRLR-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.23
Rot. Bonds12

About 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2915854) has the molecular formula C24H28N2O5S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2915854
Molecular FormulaC24H28N2O5S2
Molecular Weight488.63 g/mol
Exact Mass488.14
IUPAC Name2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H28N2O5S2/c1-3-30-21-10-8-20(9-11-21)26(33(28,29)23-12-6-19(2)7-13-23)17-24(27)25-14-16-32-18-22-5-4-15-31-22/h4-13,15H,3,14,16-18H2,1-2H3,(H,25,27)
InChIKeyWNSXMJRGNSCRLR-UHFFFAOYSA-N
XLogP4.23
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.23
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-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2915854) is 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is CCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is WNSXMJRGNSCRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S2/c1-3-30-21-10-8-20(9-11-21)26(33(28,29)23-12-6-19(2)7-13-23)17-24(27)25-14-16-32-18-22-5-4-15-31-22/h4-13,15H,3,14,16-18H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 488.63 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2915854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).