2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide

C15H16N2O2S — CID 153404330

IUPAC2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide
SMILESCOc1ccccc1C(=O)NNSc1ccc(C)cc1
InChIInChI=1S/C15H16N2O2S/c1-11-7-9-12(10-8-11)20-17-16-15(18)13-5-3-4-6-14(13)19-2/h3-10,17H,1-2H3,(H,16,18)
InChIKeyZNEXNZIUPGZCFH-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.95
Rot. Bonds5

About 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide

2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide (PubChem CID 153404330) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide
PubChem CID153404330
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide
SMILESCOc1ccccc1C(=O)NNSc1ccc(C)cc1
InChIInChI=1S/C15H16N2O2S/c1-11-7-9-12(10-8-11)20-17-16-15(18)13-5-3-4-6-14(13)19-2/h3-10,17H,1-2H3,(H,16,18)
InChIKeyZNEXNZIUPGZCFH-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 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 ≤ 52.95
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'}

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Related Compounds

2-methoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide
CID 4980698
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
2-methoxybenzohydrazide
CID 24051
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629041
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-fluoro-N'-(3-methoxyphenyl)sulfanylbenzohydrazide
CID 142366220
N'-(2,2-diphenylacetyl)-2-methoxybenzohydrazide
CID 1049928

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide?
The IUPAC name of 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide (CID 153404330) is 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide.
What is the SMILES notation for 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide?
The canonical SMILES for 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide is COc1ccccc1C(=O)NNSc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide?
The InChIKey is ZNEXNZIUPGZCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-7-9-12(10-8-11)20-17-16-15(18)13-5-3-4-6-14(13)19-2/h3-10,17H,1-2H3,(H,16,18).
What are the key properties of 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide?
2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide has a molecular weight of 288.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide is sourced from PubChem (CID 153404330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).