2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide

C20H24FN3OS — CID 134581492

IUPAC2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNSCC2CCNCC2)c1F
InChIInChI=1S/C20H24FN3OS/c1-14-11-17(16-5-3-2-4-6-16)12-18(19(14)21)20(25)23-24-26-13-15-7-9-22-10-8-15/h2-6,11-12,15,22,24H,7-10,13H2,1H3,(H,23,25)
InChIKeyQKFNVCNUELMSDK-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.68
Rot. Bonds6

About 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide

2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide (PubChem CID 134581492) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide
PubChem CID134581492
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNSCC2CCNCC2)c1F
InChIInChI=1S/C20H24FN3OS/c1-14-11-17(16-5-3-2-4-6-16)12-18(19(14)21)20(25)23-24-26-13-15-7-9-22-10-8-15/h2-6,11-12,15,22,24H,7-10,13H2,1H3,(H,23,25)
InChIKeyQKFNVCNUELMSDK-UHFFFAOYSA-N
XLogP3.68
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide 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

N-[2-(2-fluorophenyl)ethyl]-3-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)methyl]benzamide
CID 77594213
N'-butyl-4-(3-fluoro-5-methylphenyl)benzohydrazide
CID 118418462
N-[2-(3-fluorophenyl)ethyl]-3-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)methyl]benzamide
CID 124221172
N-[2-(4-fluorophenyl)ethyl]-3-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)methyl]benzamide
CID 124221173
Tert-butyl 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoylmethyl]piperidine-1-carboxylate
CID 134581174
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 46378914
3-chloro-2-fluoro-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
CID 134581053
2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
CID 134581179
2-fluoro-3-methyl-5-(3-methylphenyl)-N'-(pyrrolidin-3-ylmethylsulfonyl)benzohydrazide
CID 167076279
2-fluoro-N'-[3-(methylamino)propylsulfonyl]-5-(3-methylphenyl)benzohydrazide
CID 167076281
3-chloro-N'-[(1-ethylpiperidin-3-yl)methylsulfonyl]-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076492
2-fluoro-3-methyl-5-(3-methylphenyl)-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
CID 167076554

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide?
The IUPAC name of 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide (CID 134581492) is 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide?
The canonical SMILES for 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNSCC2CCNCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide?
The InChIKey is QKFNVCNUELMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-14-11-17(16-5-3-2-4-6-16)12-18(19(14)21)20(25)23-24-26-13-15-7-9-22-10-8-15/h2-6,11-12,15,22,24H,7-10,13H2,1H3,(H,23,25).
What are the key properties of 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide?
2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide has a molecular weight of 373.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-4-ylmethylsulfanyl)benzohydrazide is sourced from PubChem (CID 134581492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).