N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

C23H28N4O4S2 — CID 53138717

About N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (PubChem CID 53138717) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
• PubChem CID: 53138717
• Molecular Formula: C23H28N4O4S2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.16
• IUPAC Name: N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
• SMILES: CCOc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2)cc1
• InChI: InChI=1S/C23H28N4O4S2/c1-4-31-18-10-8-17(9-11-18)25-33(29,30)19-14-20(26(3)15-19)22-24-16(2)21(32-22)23(28)27-12-6-5-7-13-27/h8-11,14-15,25H,4-7,12-13H2,1-3H3
• InChIKey: PCKGCBRJCKYKEG-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The IUPAC name of N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (CID 53138717) is N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The canonical SMILES for N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The InChIKey is PCKGCBRJCKYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-4-31-18-10-8-17(9-11-18)25-33(29,30)19-14-20(26(3)15-19)22-24-16(2)21(32-22)23(28)27-12-6-5-7-13-27/h8-11,14-15,25H,4-7,12-13H2,1-3H3.

What are the key properties of N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide has a molecular weight of 488.64 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53138717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).