2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide

C18H24F2N2O2S — CID 173466372

IUPAC2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
SMILES[H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)S(=C)c1cc(F)ccc1F
InChIInChI=1S/C18H24F2N2O2S/c1-17(2,3)14(23)10-15(21)22-16(24)18(4,5)25(6)13-9-11(19)7-8-12(13)20/h7-10,23H,6H2,1-5H3,(H2,21,22,24)/b14-10-
InChIKeyHKRVLEPUQGQMLW-UVTDQMKNSA-N
MW370.47 g/mol
LogP4.38
Rot. Bonds4

About 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide

2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide (PubChem CID 173466372) has the molecular formula C18H24F2N2O2S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
PubChem CID173466372
Molecular FormulaC18H24F2N2O2S
Molecular Weight370.47 g/mol
Exact Mass370.15
IUPAC Name2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
SMILES[H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)S(=C)c1cc(F)ccc1F
InChIInChI=1S/C18H24F2N2O2S/c1-17(2,3)14(23)10-15(21)22-16(24)18(4,5)25(6)13-9-11(19)7-8-12(13)20/h7-10,23H,6H2,1-5H3,(H2,21,22,24)/b14-10-
InChIKeyHKRVLEPUQGQMLW-UVTDQMKNSA-N
XLogP4.38
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
CID 173486398
2-(2,5-difluorophenyl)-2-formamidopropanoic acid
CID 63687449
1-(2,5-difluorophenyl)sulfinylpentan-2-one
CID 64638329
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
CID 108910441
3-(4-fluorobenzenecarboximidoyl)-4-(methylamino)benzoic acid
CID 88569484
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
4-(2,5-difluoroanilino)-3-methylbenzoic acid
CID 63212505
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
2-(2,5-difluorophenyl)-N',2-dimethylpropanehydrazide
CID 116847169
2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
CID 63675024
N-(2,4-difluorophenyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 30854578
2-(2,5-difluorophenyl)sulfonyl-2-propylpentanoic acid
CID 60987173

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide?
The IUPAC name of 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide (CID 173466372) is 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide?
The canonical SMILES for 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide is [H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)S(=C)c1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide?
The InChIKey is HKRVLEPUQGQMLW-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H24F2N2O2S/c1-17(2,3)14(23)10-15(21)22-16(24)18(4,5)25(6)13-9-11(19)7-8-12(13)20/h7-10,23H,6H2,1-5H3,(H2,21,22,24)/b14-10-.
What are the key properties of 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide?
2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)-methylidene-λ4-sulfanyl]-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide is sourced from PubChem (CID 173466372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).