2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide

C24H32N2O5S2 — CID 2930398

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H32N2O5S2/c1-30-19-13-14-23(31-2)22(17-19)26(33(28,29)21-11-7-4-8-12-21)18-24(27)25-15-16-32-20-9-5-3-6-10-20/h4,7-8,11-14,17,20H,3,5-6,9-10,15-16,18H2,1-2H3,(H,25,27)
InChIKeyILTQSDGEIOPWMC-UHFFFAOYSA-N
MW492.66 g/mol
LogP4.08
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide (PubChem CID 2930398) has the molecular formula C24H32N2O5S2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
PubChem CID2930398
Molecular FormulaC24H32N2O5S2
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H32N2O5S2/c1-30-19-13-14-23(31-2)22(17-19)26(33(28,29)21-11-7-4-8-12-21)18-24(27)25-15-16-32-20-9-5-3-6-10-20/h4,7-8,11-14,17,20H,3,5-6,9-10,15-16,18H2,1-2H3,(H,25,27)
InChIKeyILTQSDGEIOPWMC-UHFFFAOYSA-N
XLogP4.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)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)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide (CID 2930398) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide is COc1ccc(OC)c(N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide?
The InChIKey is ILTQSDGEIOPWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S2/c1-30-19-13-14-23(31-2)22(17-19)26(33(28,29)21-11-7-4-8-12-21)18-24(27)25-15-16-32-20-9-5-3-6-10-20/h4,7-8,11-14,17,20H,3,5-6,9-10,15-16,18H2,1-2H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide has a molecular weight of 492.66 g/mol, XLogP of 4.08, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-cyclohexylsulfanylethyl)acetamide is sourced from PubChem (CID 2930398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).