2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide

C17H18N2O2S — CID 24624411

IUPAC2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide
SMILESCCSc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O2S/c1-3-22-15-7-5-4-6-14(15)17(21)19-18-16(20)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNQGQUHWQDSQICG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.18
Rot. Bonds4

About 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide

2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 24624411) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID24624411
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide
SMILESCCSc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O2S/c1-3-22-15-7-5-4-6-14(15)17(21)19-18-16(20)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNQGQUHWQDSQICG-UHFFFAOYSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
[(E)-[amino-(4-methylphenyl)methylidene]amino] 2-ethylsulfanylbenzoate
CID 8795841
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide
CID 99132067
N'-(4-bromobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 78773955
2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
CID 158896086
N'-(4-ethoxybenzoyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzohydrazide
CID 36897572
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400
2-ethylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 970322
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
CID 24624533

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide (CID 24624411) is 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide is CCSc1ccccc1C(=O)NNC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is NQGQUHWQDSQICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-22-15-7-5-4-6-14(15)17(21)19-18-16(20)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide?
2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 314.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 24624411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).