3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide

C19H22N2O4S — CID 8621227

IUPAC3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(SC)cc2)cc1OC
InChIInChI=1S/C19H22N2O4S/c1-4-11-25-16-10-7-14(12-17(16)24-2)19(23)21-20-18(22)13-5-8-15(26-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZEUJUHUSDVCITN-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.28
Rot. Bonds7

About 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide

3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide (PubChem CID 8621227) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
PubChem CID8621227
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(SC)cc2)cc1OC
InChIInChI=1S/C19H22N2O4S/c1-4-11-25-16-10-7-14(12-17(16)24-2)19(23)21-20-18(22)13-5-8-15(26-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZEUJUHUSDVCITN-UHFFFAOYSA-N
XLogP3.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-(2,4-difluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440206
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide (CID 8621227) is 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2ccc(SC)cc2)cc1OC.
What is the InChIKey of 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide?
The InChIKey is ZEUJUHUSDVCITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-11-25-16-10-7-14(12-17(16)24-2)19(23)21-20-18(22)13-5-8-15(26-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide?
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide has a molecular weight of 374.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide is sourced from PubChem (CID 8621227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).