3-ethoxy-N'-phenylsulfanylbenzohydrazide

C15H16N2O2S — CID 155393059

IUPAC3-ethoxy-N'-phenylsulfanylbenzohydrazide
SMILESCCOc1cccc(C(=O)NNSc2ccccc2)c1
InChIInChI=1S/C15H16N2O2S/c1-2-19-13-8-6-7-12(11-13)15(18)16-17-20-14-9-4-3-5-10-14/h3-11,17H,2H2,1H3,(H,16,18)
InChIKeyJFJLBWUMAXWYBP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.03
Rot. Bonds6

About 3-ethoxy-N'-phenylsulfanylbenzohydrazide

3-ethoxy-N'-phenylsulfanylbenzohydrazide (PubChem CID 155393059) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-ethoxy-N'-phenylsulfanylbenzohydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-phenylsulfanylbenzohydrazide
PubChem CID155393059
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-ethoxy-N'-phenylsulfanylbenzohydrazide
SMILESCCOc1cccc(C(=O)NNSc2ccccc2)c1
InChIInChI=1S/C15H16N2O2S/c1-2-19-13-8-6-7-12(11-13)15(18)16-17-20-14-9-4-3-5-10-14/h3-11,17H,2H2,1H3,(H,16,18)
InChIKeyJFJLBWUMAXWYBP-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.03
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

3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
methyl 3-ethoxybenzoate
CID 3267781
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-phenylsulfanylbenzohydrazide?
The IUPAC name of 3-ethoxy-N'-phenylsulfanylbenzohydrazide (CID 155393059) is 3-ethoxy-N'-phenylsulfanylbenzohydrazide.
What is the SMILES notation for 3-ethoxy-N'-phenylsulfanylbenzohydrazide?
The canonical SMILES for 3-ethoxy-N'-phenylsulfanylbenzohydrazide is CCOc1cccc(C(=O)NNSc2ccccc2)c1.
What is the InChIKey of 3-ethoxy-N'-phenylsulfanylbenzohydrazide?
The InChIKey is JFJLBWUMAXWYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-19-13-8-6-7-12(11-13)15(18)16-17-20-14-9-4-3-5-10-14/h3-11,17H,2H2,1H3,(H,16,18).
What are the key properties of 3-ethoxy-N'-phenylsulfanylbenzohydrazide?
3-ethoxy-N'-phenylsulfanylbenzohydrazide has a molecular weight of 288.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-phenylsulfanylbenzohydrazide is sourced from PubChem (CID 155393059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).