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

C23H23FN4O5S2 — CID 167434209

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

N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434209) has the molecular formula C23H23FN4O5S2 and a molecular weight of 518.59 g/mol. Its IUPAC name is N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434209
• Molecular Formula: C23H23FN4O5S2
• Molecular Weight: 518.59 g/mol
• Exact Mass: 518.11
• IUPAC Name: N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CCNC(=O)c1cc2c(-c3sc(S(N)(=O)=O)cc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
• InChI: InChI=1S/C23H23FN4O5S2/c1-5-26-22(29)16-8-14-15(10-28(4)23(30)19(14)27-16)21-17(9-18(34-21)35(25,31)32)33-20-11(2)6-13(24)7-12(20)3/h6-10,27H,5H2,1-4H3,(H,26,29)(H2,25,31,32)
• InChIKey: CPKPVSUFIABPTQ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 136.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.59
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434209) is N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3sc(S(N)(=O)=O)cc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1.

What is the InChIKey of N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is CPKPVSUFIABPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5S2/c1-5-26-22(29)16-8-14-15(10-28(4)23(30)19(14)27-16)21-17(9-18(34-21)35(25,31)32)33-20-11(2)6-13(24)7-12(20)3/h6-10,27H,5H2,1-4H3,(H,26,29)(H2,25,31,32).

What are the key properties of N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 518.59 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-sulfamoylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).