N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide

C28H32F3N5OS2 — CID 59512170

About N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide

N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide (PubChem CID 59512170) has the molecular formula C28H32F3N5OS2 and a molecular weight of 575.73 g/mol. Its IUPAC name is N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide
• PubChem CID: 59512170
• Molecular Formula: C28H32F3N5OS2
• Molecular Weight: 575.73 g/mol
• Exact Mass: 575.20
• IUPAC Name: N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide
• SMILES: [H]/N=N/C(CNC(=O)c1ccc(C(CC(C)(C)C)Sc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1)=N\N
• InChI: InChI=1S/C28H32F3N5OS2/c1-16-12-20(13-17(2)25(16)18-6-8-19(9-7-18)28(29,30)31)38-23(14-27(3,4)5)21-10-11-22(39-21)26(37)34-15-24(35-32)36-33/h6-13,23,32H,14-15,33H2,1-5H3,(H,34,37)/b35-32+,36-24-
• InChIKey: NGOJNUODDKEKGL-ZFGDVNIPSA-N
• XLogP: 8.35
• TPSA: 103.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.73
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide?

The IUPAC name of N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide (CID 59512170) is N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide is [H]/N=N/C(CNC(=O)c1ccc(C(CC(C)(C)C)Sc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1)=N\N.

What is the InChIKey of N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide?

The InChIKey is NGOJNUODDKEKGL-ZFGDVNIPSA-N. The full InChI is InChI=1S/C28H32F3N5OS2/c1-16-12-20(13-17(2)25(16)18-6-8-19(9-7-18)28(29,30)31)38-23(14-27(3,4)5)21-10-11-22(39-21)26(37)34-15-24(35-32)36-33/h6-13,23,32H,14-15,33H2,1-5H3,(H,34,37)/b35-32+,36-24-.

What are the key properties of N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide?

N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide has a molecular weight of 575.73 g/mol, XLogP of 8.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-3,3-dimethylbutyl]thiophene-2-carboxamide is sourced from PubChem (CID 59512170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).