3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide

C22H22ClN3O7S2 — CID 10119656

About 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide (PubChem CID 10119656) has the molecular formula C22H22ClN3O7S2 and a molecular weight of 540.02 g/mol. Its IUPAC name is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide
• PubChem CID: 10119656
• Molecular Formula: C22H22ClN3O7S2
• Molecular Weight: 540.02 g/mol
• Exact Mass: 539.06
• IUPAC Name: 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide
• SMILES: CCCc1c(O)c(C(C)=O)cc(C(C)=O)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl
• InChI: InChI=1S/C22H22ClN3O7S2/c1-5-6-13-18(14(11(3)27)9-15(12(4)28)19(13)29)24-21(30)20-16(7-8-34-20)35(31,32)26-22-17(23)10(2)25-33-22/h7-9,26,29H,5-6H2,1-4H3,(H,24,30)
• InChIKey: QHQFUMDXDMMWTE-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 155.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.02
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide?

The IUPAC name of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide (CID 10119656) is 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide.

What is the SMILES notation for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide?

The canonical SMILES for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide is CCCc1c(O)c(C(C)=O)cc(C(C)=O)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl.

What is the InChIKey of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide?

The InChIKey is QHQFUMDXDMMWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O7S2/c1-5-6-13-18(14(11(3)27)9-15(12(4)28)19(13)29)24-21(30)20-16(7-8-34-20)35(31,32)26-22-17(23)10(2)25-33-22/h7-9,26,29H,5-6H2,1-4H3,(H,24,30).

What are the key properties of 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide?

3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide has a molecular weight of 540.02 g/mol, XLogP of 4.81, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10119656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).