2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide

C26H26N4O3S — CID 39908206

About 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide

2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 39908206) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide
• PubChem CID: 39908206
• Molecular Formula: C26H26N4O3S
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.17
• IUPAC Name: 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide
• SMILES: Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C)n(-c4cccnc4)c3C)ccc2C)c1
• InChI: InChI=1S/C26H26N4O3S/c1-17-7-5-8-22(13-17)29-34(32,33)25-15-21(11-10-18(25)2)28-26(31)24-14-19(3)30(20(24)4)23-9-6-12-27-16-23/h5-16,29H,1-4H3,(H,28,31)
• InChIKey: ZNAKZTGVRVPZDP-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide?

The IUPAC name of 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide (CID 39908206) is 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide.

What is the SMILES notation for 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide?

The canonical SMILES for 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C)n(-c4cccnc4)c3C)ccc2C)c1.

What is the InChIKey of 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide?

The InChIKey is ZNAKZTGVRVPZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-17-7-5-8-22(13-17)29-34(32,33)25-15-21(11-10-18(25)2)28-26(31)24-14-19(3)30(20(24)4)23-9-6-12-27-16-23/h5-16,29H,1-4H3,(H,28,31).

What are the key properties of 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide?

2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 39908206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).