N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide

C19H24N2O5S — CID 9427814

IUPACN'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1cc(C)c(CSCC(=O)NNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-11-6-16(24-4)17(25-5)8-14(11)9-27-10-18(22)20-21-19(23)15-7-12(2)26-13(15)3/h6-8H,9-10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyZCMFHXHIRWLTHX-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.92
Rot. Bonds7

About N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 9427814) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID9427814
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1cc(C)c(CSCC(=O)NNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-11-6-16(24-4)17(25-5)8-14(11)9-27-10-18(22)20-21-19(23)15-7-12(2)26-13(15)3/h6-8H,9-10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyZCMFHXHIRWLTHX-UHFFFAOYSA-N
XLogP2.92
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.92
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

N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276938
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
3-chloro-N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]benzohydrazide
CID 9428063
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-4-nitrobenzohydrazide
CID 9401570
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
2,5-dimethyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]furan-3-carbohydrazide
CID 9084950
N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9408968
N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2677212
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276455
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9427535
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
(2-bromo-4,5-dimethoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8939086

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 9427814) is N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide is COc1cc(C)c(CSCC(=O)NNC(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is ZCMFHXHIRWLTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-11-6-16(24-4)17(25-5)8-14(11)9-27-10-18(22)20-21-19(23)15-7-12(2)26-13(15)3/h6-8H,9-10H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 392.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 9427814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).