N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide

C20H30FN3OS — CID 134581226

IUPACN'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide
SMILESCc1cc(C2CCN(C)CC2)cc(C(=O)NNSC2CCCCC2)c1F
InChIInChI=1S/C20H30FN3OS/c1-14-12-16(15-8-10-24(2)11-9-15)13-18(19(14)21)20(25)22-23-26-17-6-4-3-5-7-17/h12-13,15,17,23H,3-11H2,1-2H3,(H,22,25)
InChIKeyWXGHGKVENWHHAX-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.16
Rot. Bonds5

About N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide

N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide (PubChem CID 134581226) has the molecular formula C20H30FN3OS and a molecular weight of 379.55 g/mol. Its IUPAC name is N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide
PubChem CID134581226
Molecular FormulaC20H30FN3OS
Molecular Weight379.55 g/mol
Exact Mass379.21
IUPAC NameN'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide
SMILESCc1cc(C2CCN(C)CC2)cc(C(=O)NNSC2CCCCC2)c1F
InChIInChI=1S/C20H30FN3OS/c1-14-12-16(15-8-10-24(2)11-9-15)13-18(19(14)21)20(25)22-23-26-17-6-4-3-5-7-17/h12-13,15,17,23H,3-11H2,1-2H3,(H,22,25)
InChIKeyWXGHGKVENWHHAX-UHFFFAOYSA-N
XLogP4.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)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

Tert-butyl 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoylmethyl]piperidine-1-carboxylate
CID 134581174
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
3-chloro-2-fluoro-5-(3-methylphenyl)-N'-[(1-methylpiperidin-3-yl)methylsulfonyl]benzohydrazide
CID 167076711
4-Fluoro-N'-(1-phenylmethanesulfonylpiperidine-4-carbonyl)benzohydrazide
CID 1444957
1-[2-(3-fluorophenyl)acetyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
CID 46256797
3-(1-Ethylpiperidin-4-yl)-2-fluorobenzamide
CID 57438789
N'-[(1,5-dimethyl-3-phenylpiperidin-3-yl)methyl]-2-ethyl-4-(trifluoromethyl)benzohydrazide
CID 90771390
Tert-butyl 4-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoylmethyl]piperidine-1-carboxylate
CID 134580933

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide?
The IUPAC name of N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide (CID 134581226) is N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide.
What is the SMILES notation for N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide?
The canonical SMILES for N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide is Cc1cc(C2CCN(C)CC2)cc(C(=O)NNSC2CCCCC2)c1F.
What is the InChIKey of N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide?
The InChIKey is WXGHGKVENWHHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3OS/c1-14-12-16(15-8-10-24(2)11-9-15)13-18(19(14)21)20(25)22-23-26-17-6-4-3-5-7-17/h12-13,15,17,23H,3-11H2,1-2H3,(H,22,25).
What are the key properties of N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide?
N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide has a molecular weight of 379.55 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexylsulfanyl-2-fluoro-3-methyl-5-(1-methylpiperidin-4-yl)benzohydrazide is sourced from PubChem (CID 134581226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).