N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide

C36H45ClN4O8S2 — CID 20821024

About N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide

N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 20821024) has the molecular formula C36H45ClN4O8S2 and a molecular weight of 761.36 g/mol. Its IUPAC name is N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide
• PubChem CID: 20821024
• Molecular Formula: C36H45ClN4O8S2
• Molecular Weight: 761.36 g/mol
• Exact Mass: 760.24
• IUPAC Name: N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide
• SMILES: CCCCCCCCCCCCCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2cscn2)N2C(=O)OC(C)C2=O)c1
• InChI: InChI=1S/C36H45ClN4O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-48-31-18-15-14-17-28(31)40-51(46,47)26-19-20-27(37)29(22-26)39-34(43)32(33(42)30-23-50-24-38-30)41-35(44)25(2)49-36(41)45/h14-15,17-20,22-25,32,40H,3-13,16,21H2,1-2H3,(H,39,43)
• InChIKey: RPZNDCMVHXESQU-UHFFFAOYSA-N
• XLogP: 8.23
• TPSA: 161.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.36
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide?

The IUPAC name of N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide (CID 20821024) is N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide.

What is the SMILES notation for N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide?

The canonical SMILES for N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide is CCCCCCCCCCCCCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2cscn2)N2C(=O)OC(C)C2=O)c1.

What is the InChIKey of N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide?

The InChIKey is RPZNDCMVHXESQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45ClN4O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-48-31-18-15-14-17-28(31)40-51(46,47)26-19-20-27(37)29(22-26)39-34(43)32(33(42)30-23-50-24-38-30)41-35(44)25(2)49-36(41)45/h14-15,17-20,22-25,32,40H,3-13,16,21H2,1-2H3,(H,39,43).

What are the key properties of N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide?

N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 761.36 g/mol, XLogP of 8.23, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[(2-tetradecoxyphenyl)sulfamoyl]phenyl]-2-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-oxo-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 20821024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).