N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide

C25H32N4O3S2 — CID 164991736

About N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide

N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide (PubChem CID 164991736) has the molecular formula C25H32N4O3S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
• PubChem CID: 164991736
• Molecular Formula: C25H32N4O3S2
• Molecular Weight: 500.69 g/mol
• Exact Mass: 500.19
• IUPAC Name: N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2cnc(-c3ccc(NCC(C)C)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1
• InChI: InChI=1S/C25H32N4O3S2/c1-16(2)14-26-19-9-7-18(8-10-19)24-27-15-22(33-24)21-12-11-20(28-17(3)30)13-23(21)34(31,32)29-25(4,5)6/h7-13,15-16,26,29H,14H2,1-6H3,(H,28,30)
• InChIKey: USHSBSYMCMFQSH-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 100.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.69
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide (CID 164991736) is N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide.

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

The canonical SMILES for N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc(-c3ccc(NCC(C)C)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1.

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

The InChIKey is USHSBSYMCMFQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S2/c1-16(2)14-26-19-9-7-18(8-10-19)24-27-15-22(33-24)21-12-11-20(28-17(3)30)13-23(21)34(31,32)29-25(4,5)6/h7-13,15-16,26,29H,14H2,1-6H3,(H,28,30).

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

N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide has a molecular weight of 500.69 g/mol, XLogP of 5.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(tert-butylsulfamoyl)-4-[2-[4-(2-methylpropylamino)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 164991736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).