2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide

C15H16N2O2S — CID 63580788

IUPAC2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
SMILESCOc1cccc(SCc2ccccc2C(=O)NN)c1
InChIInChI=1S/C15H16N2O2S/c1-19-12-6-4-7-13(9-12)20-10-11-5-2-3-8-14(11)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyDXWIHBZEEDDWGB-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.59
Rot. Bonds5

About 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide

2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide (PubChem CID 63580788) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
PubChem CID63580788
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
SMILESCOc1cccc(SCc2ccccc2C(=O)NN)c1
InChIInChI=1S/C15H16N2O2S/c1-19-12-6-4-7-13(9-12)20-10-11-5-2-3-8-14(11)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyDXWIHBZEEDDWGB-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 13154004
methyl 2-amino-6-[(3-methoxyphenyl)sulfanylmethyl]benzoate
CID 104825676
4-fluoro-2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 107908839
5-(3-methoxyphenyl)sulfanylpentanehydrazide
CID 63580608
N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide
CID 19318774
2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene
CID 129214517
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830
2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63582300
2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide
CID 66894427
[5-[(3-methoxyphenyl)sulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062018
2-methoxy-4-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 106794194

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide (CID 63580788) is 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide is COc1cccc(SCc2ccccc2C(=O)NN)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is DXWIHBZEEDDWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-12-6-4-7-13(9-12)20-10-11-5-2-3-8-14(11)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide?
2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide has a molecular weight of 288.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 63580788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).