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

C23H28N4O4S2 — CID 53138735

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

N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (PubChem CID 53138735) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

• Compound Name: N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
• PubChem CID: 53138735
• Molecular Formula: C23H28N4O4S2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.16
• IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
• SMILES: COc1cccc(CNS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2)c1
• InChI: InChI=1S/C23H28N4O4S2/c1-16-21(23(28)27-10-5-4-6-11-27)32-22(25-16)20-13-19(15-26(20)2)33(29,30)24-14-17-8-7-9-18(12-17)31-3/h7-9,12-13,15,24H,4-6,10-11,14H2,1-3H3
• InChIKey: DSEVWQODDDPXBP-UHFFFAOYSA-N
• XLogP: 3.57
• 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	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (CID 53138735) is N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

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

The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is COc1cccc(CNS(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2)c1.

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

The InChIKey is DSEVWQODDDPXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-16-21(23(28)27-10-5-4-6-11-27)32-22(25-16)20-13-19(15-26(20)2)33(29,30)24-14-17-8-7-9-18(12-17)31-3/h7-9,12-13,15,24H,4-6,10-11,14H2,1-3H3.

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

N-[(3-methoxyphenyl)methyl]-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 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53138735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).