2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide

C20H26N2O6S — CID 108575198

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O6S/c1-4-28-16-6-8-17(9-7-16)29(24,25)22-12-11-21-20(23)14-15-5-10-18(26-2)19(13-15)27-3/h5-10,13,22H,4,11-12,14H2,1-3H3,(H,21,23)
InChIKeyAIJWCUGETFOKCR-UHFFFAOYSA-N
MW422.50 g/mol
LogP1.74
Rot. Bonds11

About 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 108575198) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID108575198
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O6S/c1-4-28-16-6-8-17(9-7-16)29(24,25)22-12-11-21-20(23)14-15-5-10-18(26-2)19(13-15)27-3/h5-10,13,22H,4,11-12,14H2,1-3H3,(H,21,23)
InChIKeyAIJWCUGETFOKCR-UHFFFAOYSA-N
XLogP1.74
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]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

Related Compounds

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108573136
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573113
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
CID 126258628
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30763943
N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 112999332
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide (CID 108575198) is 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide is CCOc1ccc(S(=O)(=O)NCCNC(=O)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is AIJWCUGETFOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-4-28-16-6-8-17(9-7-16)29(24,25)22-12-11-21-20(23)14-15-5-10-18(26-2)19(13-15)27-3/h5-10,13,22H,4,11-12,14H2,1-3H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 1.74, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 108575198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).