3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide

C23H30N2O5S — CID 55834203

IUPAC3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(SC(C)C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O5S/c1-6-28-19-13-17(14-20(29-7-2)21(19)30-8-3)23(27)25-24-22(26)16-9-11-18(12-10-16)31-15(4)5/h9-15H,6-8H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyJRDKHGTWECKKBK-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.46
Rot. Bonds10

About 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide

3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide (PubChem CID 55834203) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
PubChem CID55834203
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2ccc(SC(C)C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H30N2O5S/c1-6-28-19-13-17(14-20(29-7-2)21(19)30-8-3)23(27)25-24-22(26)16-9-11-18(12-10-16)31-15(4)5/h9-15H,6-8H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyJRDKHGTWECKKBK-UHFFFAOYSA-N
XLogP4.46
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129
N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide
CID 55834680
3,4,5-triethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 43002106
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
3,4,5-triethoxy-N'-[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]benzohydrazide
CID 4842709
N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3,4,5-triethoxybenzohydrazide
CID 16546764
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 26586710

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide?
The IUPAC name of 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide (CID 55834203) is 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide.
What is the SMILES notation for 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide?
The canonical SMILES for 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide is CCOc1cc(C(=O)NNC(=O)c2ccc(SC(C)C)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide?
The InChIKey is JRDKHGTWECKKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-6-28-19-13-17(14-20(29-7-2)21(19)30-8-3)23(27)25-24-22(26)16-9-11-18(12-10-16)31-15(4)5/h9-15H,6-8H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide?
3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide has a molecular weight of 446.57 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide is sourced from PubChem (CID 55834203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).