N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

C25H29N3O6S — CID 46394062

About N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide

N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394062) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
• PubChem CID: 46394062
• Molecular Formula: C25H29N3O6S
• Molecular Weight: 499.59 g/mol
• Exact Mass: 499.18
• IUPAC Name: N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
• SMILES: CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2C)c1
• InChI: InChI=1S/C25H29N3O6S/c1-6-32-20-11-13-22(33-7-2)21(15-20)28-35(30,31)24-14-19(9-8-16(24)3)10-12-23-25(26-18(5)29)17(4)27-34-23/h8-15,28H,6-7H2,1-5H3,(H,26,29)/b12-10-
• InChIKey: NTVHLFVBXVPZRC-BENRWUELSA-N
• XLogP: 5.02
• TPSA: 119.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.59
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?

The IUPAC name of N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394062) is N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

What is the SMILES notation for N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?

The canonical SMILES for N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2C)c1.

What is the InChIKey of N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?

The InChIKey is NTVHLFVBXVPZRC-BENRWUELSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-6-32-20-11-13-22(33-7-2)21(15-20)28-35(30,31)24-14-19(9-8-16(24)3)10-12-23-25(26-18(5)29)17(4)27-34-23/h8-15,28H,6-7H2,1-5H3,(H,26,29)/b12-10-.

What are the key properties of N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?

N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 499.59 g/mol, XLogP of 5.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(Z)-2-[3-[(2,5-diethoxyphenyl)sulfamoyl]-4-methylphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).