N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide

C18H20N2O2S — CID 44759171

IUPACN'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide
SMILESCSc1ccc(C(=O)CCC(=O)NN(C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-20(15-6-4-3-5-7-15)19-18(22)13-12-17(21)14-8-10-16(23-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyNRTJZMJMKKUEJW-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.54
Rot. Bonds7

About N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide

N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide (PubChem CID 44759171) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide
PubChem CID44759171
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide
SMILESCSc1ccc(C(=O)CCC(=O)NN(C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-20(15-6-4-3-5-7-15)19-18(22)13-12-17(21)14-8-10-16(23-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyNRTJZMJMKKUEJW-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione;methylsulfanylbenzene
CID 161175426
4-[4-(4-methylsulfanylphenyl)phenyl]-4-oxobutanoic acid
CID 23005244
1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione
CID 18183648
4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
CID 9163716
N-[4-(dimethylamino)phenyl]-4-oxo-4-phenylbutanamide
CID 17454431
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
CID 24505212
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 9479963
4-hydroxy-1-(4-methylsulfanylphenyl)butan-1-one
CID 86219757
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829287
2-(N-(4-methylsulfanylbenzoyl)anilino)acetic acid
CID 60831323
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide?
The IUPAC name of N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide (CID 44759171) is N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide.
What is the SMILES notation for N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide?
The canonical SMILES for N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide is CSc1ccc(C(=O)CCC(=O)NN(C)c2ccccc2)cc1.
What is the InChIKey of N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide?
The InChIKey is NRTJZMJMKKUEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-20(15-6-4-3-5-7-15)19-18(22)13-12-17(21)14-8-10-16(23-2)11-9-14/h3-11H,12-13H2,1-2H3,(H,19,22).
What are the key properties of N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide?
N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide has a molecular weight of 328.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide is sourced from PubChem (CID 44759171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).