N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide

C21H26N2O4S — CID 9276938

IUPACN'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
SMILESCOc1cc(C)c(CSCC(=O)NNC(=O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C21H26N2O4S/c1-13-6-7-17(15(3)8-13)21(25)23-22-20(24)12-28-11-16-10-19(27-5)18(26-4)9-14(16)2/h6-10H,11-12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyGQAJKTMATIPFIY-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.32
Rot. Bonds7

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

N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide (PubChem CID 9276938) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
PubChem CID9276938
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
SMILESCOc1cc(C)c(CSCC(=O)NNC(=O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C21H26N2O4S/c1-13-6-7-17(15(3)8-13)21(25)23-22-20(24)12-28-11-16-10-19(27-5)18(26-4)9-14(16)2/h6-10H,11-12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyGQAJKTMATIPFIY-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.32
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'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276455
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9427814
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-4-nitrobenzohydrazide
CID 9401570
3-chloro-N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]benzohydrazide
CID 9428063
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 8637344
N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9408968
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9427535
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
N-(3-chloro-2-methylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9403978
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]acetate
CID 78765913

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide (CID 9276938) is N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide is COc1cc(C)c(CSCC(=O)NNC(=O)c2ccc(C)cc2C)cc1OC.
What is the InChIKey of N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide?
The InChIKey is GQAJKTMATIPFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-13-6-7-17(15(3)8-13)21(25)23-22-20(24)12-28-11-16-10-19(27-5)18(26-4)9-14(16)2/h6-10H,11-12H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide?
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide has a molecular weight of 402.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9276938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).