3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide

C31H39N5O5S — CID 20747573

About 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide

3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide (PubChem CID 20747573) has the molecular formula C31H39N5O5S and a molecular weight of 593.75 g/mol. Its IUPAC name is 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide
• PubChem CID: 20747573
• Molecular Formula: C31H39N5O5S
• Molecular Weight: 593.75 g/mol
• Exact Mass: 593.27
• IUPAC Name: 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide
• SMILES: CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(COCC)c1
• InChI: InChI=1S/C31H39N5O5S/c1-7-12-28-33-26(8-2)29(30(37)32-6)36(28)18-22-15-16-24(23(17-22)19-40-9-3)25-13-10-11-14-27(25)42(38,39)35-31-20(4)21(5)34-41-31/h10-11,13-17,35H,7-9,12,18-19H2,1-6H3,(H,32,37)
• InChIKey: OYVJMOMBUZRBJY-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 128.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.75
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide?

The IUPAC name of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide (CID 20747573) is 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide.

What is the SMILES notation for 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide?

The canonical SMILES for 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide is CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(COCC)c1.

What is the InChIKey of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide?

The InChIKey is OYVJMOMBUZRBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O5S/c1-7-12-28-33-26(8-2)29(30(37)32-6)36(28)18-22-15-16-24(23(17-22)19-40-9-3)25-13-10-11-14-27(25)42(38,39)35-31-20(4)21(5)34-41-31/h10-11,13-17,35H,7-9,12,18-19H2,1-6H3,(H,32,37).

What are the key properties of 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide?

3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide has a molecular weight of 593.75 g/mol, XLogP of 5.42, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(ethoxymethyl)phenyl]methyl]-5-ethyl-N-methyl-2-propylimidazole-4-carboxamide is sourced from PubChem (CID 20747573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).