4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C25H26N4O5S — CID 155535301

IUPAC4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(N)(=O)=O)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C25H26N4O5S/c1-5-27-24(30)20-12-18-19(13-29(4)25(31)22(18)28-20)17-11-16(35(26,32)33)9-10-21(17)34-23-14(2)7-6-8-15(23)3/h6-13,28H,5H2,1-4H3,(H,27,30)(H2,26,32,33)
InChIKeyVVLBKQBEHORLKD-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.34
Rot. Bonds6

About 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155535301) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155535301
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(S(N)(=O)=O)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C25H26N4O5S/c1-5-27-24(30)20-12-18-19(13-29(4)25(31)22(18)28-20)17-11-16(35(26,32)33)9-10-21(17)34-23-14(2)7-6-8-15(23)3/h6-13,28H,5H2,1-4H3,(H,27,30)(H2,26,32,33)
InChIKeyVVLBKQBEHORLKD-UHFFFAOYSA-N
XLogP3.34
TPSA136.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 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 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155535301) is 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc(S(N)(=O)=O)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is VVLBKQBEHORLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-5-27-24(30)20-12-18-19(13-29(4)25(31)22(18)28-20)17-11-16(35(26,32)33)9-10-21(17)34-23-14(2)7-6-8-15(23)3/h6-13,28H,5H2,1-4H3,(H,27,30)(H2,26,32,33).
What are the key properties of 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylphenoxy)-5-sulfamoylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155535301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).