2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide

C27H34N4O6S2 — CID 51353347

About 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide

2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide (PubChem CID 51353347) has the molecular formula C27H34N4O6S2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 51353347
• Molecular Formula: C27H34N4O6S2
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.19
• IUPAC Name: 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
• SMILES: CCc1c(OC)cc(C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(=O)(=O)NC)c(C)s2)cc1OC
• InChI: InChI=1S/C27H34N4O6S2/c1-6-21-22(36-4)15-20(16-23(21)37-5)27(33)31(14-10-13-19-11-8-7-9-12-19)17-24-29-25(18(2)38-24)26(32)30-39(34,35)28-3/h7-9,11-12,15-16,28H,6,10,13-14,17H2,1-5H3,(H,30,32)
• InChIKey: SVIFATJJTHEMDS-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 126.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide (CID 51353347) is 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide is CCc1c(OC)cc(C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(=O)(=O)NC)c(C)s2)cc1OC.

What is the InChIKey of 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide?

The InChIKey is SVIFATJJTHEMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6S2/c1-6-21-22(36-4)15-20(16-23(21)37-5)27(33)31(14-10-13-19-11-8-7-9-12-19)17-24-29-25(18(2)38-24)26(32)30-39(34,35)28-3/h7-9,11-12,15-16,28H,6,10,13-14,17H2,1-5H3,(H,30,32).

What are the key properties of 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide?

2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide has a molecular weight of 574.73 g/mol, XLogP of 3.50, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51353347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).