N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H19N3O4S — CID 146220992

About N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 146220992) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 146220992
• Molecular Formula: C21H19N3O4S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.11
• IUPAC Name: N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: CC1=NC(C)=C(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)C1
• InChI: InChI=1S/C21H19N3O4S/c1-13-9-20(14(2)24-13)29(26,27)17-5-3-15(4-6-17)11-23-21(25)18-10-16-7-8-22-12-19(16)28-18/h3-8,10,12H,9,11H2,1-2H3,(H,23,25)
• InChIKey: DREZWZFUVWTMCL-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 101.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 146220992) is N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC1=NC(C)=C(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)C1.

What is the InChIKey of N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is DREZWZFUVWTMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-13-9-20(14(2)24-13)29(26,27)17-5-3-15(4-6-17)11-23-21(25)18-10-16-7-8-22-12-19(16)28-18/h3-8,10,12H,9,11H2,1-2H3,(H,23,25).

What are the key properties of N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 146220992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).