N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide

C24H21ClN4O4S2 — CID 86620385

About N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide

N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide (PubChem CID 86620385) has the molecular formula C24H21ClN4O4S2 and a molecular weight of 529.04 g/mol. Its IUPAC name is N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide.

Molecular Properties

• Compound Name: N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
• PubChem CID: 86620385
• Molecular Formula: C24H21ClN4O4S2
• Molecular Weight: 529.04 g/mol
• Exact Mass: 528.07
• IUPAC Name: N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
• SMILES: Cc1nc(NC(=O)COCc2ccccc2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
• InChI: InChI=1S/C24H21ClN4O4S2/c1-16-22(34-24(27-16)28-21(30)15-33-14-17-8-4-2-5-9-17)18-12-20(23(25)26-13-18)29-35(31,32)19-10-6-3-7-11-19/h2-13,29H,14-15H2,1H3,(H,27,28,30)
• InChIKey: CJUQZXUNHSHBCV-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.04
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?

The IUPAC name of N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide (CID 86620385) is N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide.

What is the SMILES notation for N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?

The canonical SMILES for N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide is Cc1nc(NC(=O)COCc2ccccc2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1.

What is the InChIKey of N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?

The InChIKey is CJUQZXUNHSHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S2/c1-16-22(34-24(27-16)28-21(30)15-33-14-17-8-4-2-5-9-17)18-12-20(23(25)26-13-18)29-35(31,32)19-10-6-3-7-11-19/h2-13,29H,14-15H2,1H3,(H,27,28,30).

What are the key properties of N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?

N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide has a molecular weight of 529.04 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 86620385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).