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

C27H30F3N5OS2 — CID 59512169

IUPACN-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide
SMILES[H]/N=N/C(CNC(=O)c1ccc(C(Sc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)C(C)(C)C)s1)=N\N
InChIInChI=1S/C27H30F3N5OS2/c1-15-12-19(13-16(2)23(15)17-6-8-18(9-7-17)27(28,29)30)37-24(26(3,4)5)20-10-11-21(38-20)25(36)33-14-22(34-31)35-32/h6-13,24,31H,14,32H2,1-5H3,(H,33,36)/b34-31+,35-22-
InChIKeyOSRPXFINSNWMOT-JXBBDGTASA-N
MW561.70 g/mol
LogP7.96
Rot. Bonds7

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

N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide (PubChem CID 59512169) has the molecular formula C27H30F3N5OS2 and a molecular weight of 561.70 g/mol. Its IUPAC name is N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide
PubChem CID59512169
Molecular FormulaC27H30F3N5OS2
Molecular Weight561.70 g/mol
Exact Mass561.18
IUPAC NameN-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide
SMILES[H]/N=N/C(CNC(=O)c1ccc(C(Sc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)C(C)(C)C)s1)=N\N
InChIInChI=1S/C27H30F3N5OS2/c1-15-12-19(13-16(2)23(15)17-6-8-18(9-7-17)27(28,29)30)37-24(26(3,4)5)20-10-11-21(38-20)25(36)33-14-22(34-31)35-32/h6-13,24,31H,14,32H2,1-5H3,(H,33,36)/b34-31+,35-22-
InChIKeyOSRPXFINSNWMOT-JXBBDGTASA-N
XLogP7.96
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.70
LogP ≤ 57.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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

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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-2,2-dimethylpropyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide (CID 59512169) is N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]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-2,2-dimethylpropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide is [H]/N=N/C(CNC(=O)c1ccc(C(Sc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)C(C)(C)C)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-2,2-dimethylpropyl]thiophene-2-carboxamide?
The InChIKey is OSRPXFINSNWMOT-JXBBDGTASA-N. The full InChI is InChI=1S/C27H30F3N5OS2/c1-15-12-19(13-16(2)23(15)17-6-8-18(9-7-17)27(28,29)30)37-24(26(3,4)5)20-10-11-21(38-20)25(36)33-14-22(34-31)35-32/h6-13,24,31H,14,32H2,1-5H3,(H,33,36)/b34-31+,35-22-.
What are the key properties of N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide?
N-[(2Z)-2-diazenyl-2-hydrazinylideneethyl]-5-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]sulfanyl-2,2-dimethylpropyl]thiophene-2-carboxamide has a molecular weight of 561.70 g/mol, XLogP of 7.96, 7 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-2,2-dimethylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 59512169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).