N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C20H24N2O6S — CID 1084217

IUPACN-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C20H24N2O6S/c1-26-16-7-10-19(27-2)18(13-16)21-20(23)14-28-15-5-8-17(9-6-15)29(24,25)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
InChIKeyKCHKXGFPEQNYLQ-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.51
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 1084217) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID1084217
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C20H24N2O6S/c1-26-16-7-10-19(27-2)18(13-16)21-20(23)14-28-15-5-8-17(9-6-15)29(24,25)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23)
InChIKeyKCHKXGFPEQNYLQ-UHFFFAOYSA-N
XLogP2.51
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)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 N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 1084217) is N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is KCHKXGFPEQNYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-26-16-7-10-19(27-2)18(13-16)21-20(23)14-28-15-5-8-17(9-6-15)29(24,25)22-11-3-4-12-22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 1084217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).