3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide

C24H30N4O4S2 — CID 100796451

About 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide

3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 100796451) has the molecular formula C24H30N4O4S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide
• PubChem CID: 100796451
• Molecular Formula: C24H30N4O4S2
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.17
• IUPAC Name: 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide
• SMILES: CNc1nc(-c2ccc(OC)c(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)cs1
• InChI: InChI=1S/C24H30N4O4S2/c1-24(2,3)28-34(30,31)18-10-6-16(7-11-18)8-13-22(29)26-19-14-17(9-12-21(19)32-5)20-15-33-23(25-4)27-20/h6-7,9-12,14-15,28H,8,13H2,1-5H3,(H,25,27)(H,26,29)
• InChIKey: VPTVYEOVUPZCMH-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 109.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide?

The IUPAC name of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide (CID 100796451) is 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide.

What is the SMILES notation for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide?

The canonical SMILES for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide is CNc1nc(-c2ccc(OC)c(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)c2)cs1.

What is the InChIKey of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide?

The InChIKey is VPTVYEOVUPZCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S2/c1-24(2,3)28-34(30,31)18-10-6-16(7-11-18)8-13-22(29)26-19-14-17(9-12-21(19)32-5)20-15-33-23(25-4)27-20/h6-7,9-12,14-15,28H,8,13H2,1-5H3,(H,25,27)(H,26,29).

What are the key properties of 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide?

3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 502.66 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 100796451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).