N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide

C20H22N2OS — CID 3663481

IUPACN'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide
SMILESO=C(NNC1=CCCCC1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H22N2OS/c23-20(22-21-18-7-3-1-4-8-18)17-13-11-16(12-14-17)15-24-19-9-5-2-6-10-19/h2,5-7,9-14,21H,1,3-4,8,15H2,(H,22,23)
InChIKeyIRLKRUNVJLUKSO-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.67
Rot. Bonds6

About N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide

N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide (PubChem CID 3663481) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide
PubChem CID3663481
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide
SMILESO=C(NNC1=CCCCC1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H22N2OS/c23-20(22-21-18-7-3-1-4-8-18)17-13-11-16(12-14-17)15-24-19-9-5-2-6-10-19/h2,5-7,9-14,21H,1,3-4,8,15H2,(H,22,23)
InChIKeyIRLKRUNVJLUKSO-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-(cyclohexen-1-yl)benzohydrazide
CID 2353656
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
N'-(cyclohexen-1-yl)-4-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 2370954
N'-(cyclohexen-1-yl)-2-hydroxybenzohydrazide
CID 4231723
N-[2-[2-(cyclopenten-1-yl)hydrazinyl]-2-oxoethyl]benzamide
CID 117060839
4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119464249
N'-(cyclohexen-1-yl)-2-phenoxyacetohydrazide
CID 4621301
(4-chlorophenyl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 139753747
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
N'-(cyclohepten-1-yl)-2-pyrrol-1-ylbenzohydrazide
CID 2588195
N'-(cyclopenten-1-yl)-3,4-dimethylbenzohydrazide
CID 4744638

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide?
The IUPAC name of N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide (CID 3663481) is N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide.
What is the SMILES notation for N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide?
The canonical SMILES for N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide is O=C(NNC1=CCCCC1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide?
The InChIKey is IRLKRUNVJLUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-20(22-21-18-7-3-1-4-8-18)17-13-11-16(12-14-17)15-24-19-9-5-2-6-10-19/h2,5-7,9-14,21H,1,3-4,8,15H2,(H,22,23).
What are the key properties of N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide?
N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide has a molecular weight of 338.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexen-1-yl)-4-(phenylsulfanylmethyl)benzohydrazide is sourced from PubChem (CID 3663481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).