2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C23H26N2O6S2 — CID 2914172

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H26N2O6S2/c1-29-21-11-10-18(15-22(21)30-2)25(33(27,28)20-8-4-3-5-9-20)16-23(26)24-12-14-32-17-19-7-6-13-31-19/h3-11,13,15H,12,14,16-17H2,1-2H3,(H,24,26)
InChIKeyTVTSBOYYILDJMH-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.54
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2914172) has the molecular formula C23H26N2O6S2 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2914172
Molecular FormulaC23H26N2O6S2
Molecular Weight490.60 g/mol
Exact Mass490.12
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H26N2O6S2/c1-29-21-11-10-18(15-22(21)30-2)25(33(27,28)20-8-4-3-5-9-20)16-23(26)24-12-14-32-17-19-7-6-13-31-19/h3-11,13,15H,12,14,16-17H2,1-2H3,(H,24,26)
InChIKeyTVTSBOYYILDJMH-UHFFFAOYSA-N
XLogP3.54
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2914172) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is COc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is TVTSBOYYILDJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S2/c1-29-21-11-10-18(15-22(21)30-2)25(33(27,28)20-8-4-3-5-9-20)16-23(26)24-12-14-32-17-19-7-6-13-31-19/h3-11,13,15H,12,14,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 490.60 g/mol, XLogP of 3.54, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2914172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).