3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

C23H22N2O3S — CID 9321776

IUPAC3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCSCc1cccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H22N2O3S/c1-29-16-17-8-7-11-19(14-17)23(27)25-24-22(26)15-28-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyBEMORNYXDUALSX-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.06
Rot. Bonds7

About 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide

3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (PubChem CID 9321776) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
PubChem CID9321776
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
SMILESCSCc1cccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H22N2O3S/c1-29-16-17-8-7-11-19(14-17)23(27)25-24-22(26)15-28-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyBEMORNYXDUALSX-UHFFFAOYSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
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-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17134455
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 47839265
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
N-cyclopentyl-3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55571075
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
3-(methylsulfanylmethyl)-N-phenylmethoxybenzamide
CID 30796114

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide (CID 9321776) is 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is CSCc1cccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
The InChIKey is BEMORNYXDUALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-29-16-17-8-7-11-19(14-17)23(27)25-24-22(26)15-28-21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide?
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide has a molecular weight of 406.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 9321776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).