3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide

C19H28N4O5S — CID 8823546

IUPAC3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)ccc1OCCC(C)C
InChIInChI=1S/C19H28N4O5S/c1-12(2)9-10-28-16-8-7-15(11-17(16)27-6)19(24)20-22-29(25,26)18-13(3)21-23(5)14(18)4/h7-8,11-12,22H,9-10H2,1-6H3,(H,20,24)
InChIKeyFJGGSAPKZRYRFP-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.09
Rot. Bonds9

About 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide

3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide (PubChem CID 8823546) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
PubChem CID8823546
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC Name3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)ccc1OCCC(C)C
InChIInChI=1S/C19H28N4O5S/c1-12(2)9-10-28-16-8-7-15(11-17(16)27-6)19(24)20-22-29(25,26)18-13(3)21-23(5)14(18)4/h7-8,11-12,22H,9-10H2,1-6H3,(H,20,24)
InChIKeyFJGGSAPKZRYRFP-UHFFFAOYSA-N
XLogP2.09
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 26952142
3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 26952120
N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 34558984
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523716
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide
CID 4833062
(2R)-2-(4-cyanophenoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanehydrazide
CID 8823276
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 87043392
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide (CID 8823546) is 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The canonical SMILES for 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2c(C)nn(C)c2C)ccc1OCCC(C)C.
What is the InChIKey of 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
The InChIKey is FJGGSAPKZRYRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-12(2)9-10-28-16-8-7-15(11-17(16)27-6)19(24)20-22-29(25,26)18-13(3)21-23(5)14(18)4/h7-8,11-12,22H,9-10H2,1-6H3,(H,20,24).
What are the key properties of 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide?
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide has a molecular weight of 424.52 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 8823546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).