N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide

C51H62N8O9S4 — CID 157178525

About N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide

N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide (PubChem CID 157178525) has the molecular formula C51H62N8O9S4 and a molecular weight of 1059.37 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
• PubChem CID: 157178525
• Molecular Formula: C51H62N8O9S4
• Molecular Weight: 1059.37 g/mol
• Exact Mass: 1058.35
• IUPAC Name: N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2cnc(-c3ccc(N4CC(C)(C)OC4=O)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(-c2cnc(-c3ccc(NCC(C)(C)O)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1
• InChI: InChI=1S/C26H30N4O5S2.C25H32N4O4S2/c1-16(31)28-18-9-12-20(22(13-18)37(33,34)29-25(2,3)4)21-14-27-23(36-21)17-7-10-19(11-8-17)30-15-26(5,6)35-24(30)32;1-16(30)28-19-11-12-20(22(13-19)35(32,33)29-24(2,3)4)21-14-26-23(34-21)17-7-9-18(10-8-17)27-15-25(5,6)31/h7-14,29H,15H2,1-6H3,(H,28,31);7-14,27,29,31H,15H2,1-6H3,(H,28,30)
• InChIKey: AOHLTJBCHDZZBB-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 238.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1059.37
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?

The IUPAC name of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide (CID 157178525) is N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?

The canonical SMILES for N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cnc(-c3ccc(N4CC(C)(C)OC4=O)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1.CC(=O)Nc1ccc(-c2cnc(-c3ccc(NCC(C)(C)O)cc3)s2)c(S(=O)(=O)NC(C)(C)C)c1.

What is the InChIKey of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?

The InChIKey is AOHLTJBCHDZZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S2.C25H32N4O4S2/c1-16(31)28-18-9-12-20(22(13-18)37(33,34)29-25(2,3)4)21-14-27-23(36-21)17-7-10-19(11-8-17)30-15-26(5,6)35-24(30)32;1-16(30)28-19-11-12-20(22(13-19)35(32,33)29-24(2,3)4)21-14-26-23(34-21)17-7-9-18(10-8-17)27-15-25(5,6)31/h7-14,29H,15H2,1-6H3,(H,28,31);7-14,27,29,31H,15H2,1-6H3,(H,28,30).

What are the key properties of N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide?

N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide has a molecular weight of 1059.37 g/mol, XLogP of 9.94, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(tert-butylsulfamoyl)-4-[2-[4-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-5-yl]phenyl]acetamide;N-[3-(tert-butylsulfamoyl)-4-[2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-1,3-thiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 157178525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).