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

C21H24N2O4S — CID 9276455

IUPACN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C21H24N2O4S/c1-13-5-7-18(14(2)9-13)21(26)23-22-20(25)12-28-11-17-10-16(15(3)24)6-8-19(17)27-4/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyGJOGUFDMBMACDV-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.21
Rot. Bonds7

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

N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide (PubChem CID 9276455) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
PubChem CID9276455
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C21H24N2O4S/c1-13-5-7-18(14(2)9-13)21(26)23-22-20(25)12-28-11-17-10-16(15(3)24)6-8-19(17)27-4/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyGJOGUFDMBMACDV-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.21
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]-4-methylbenzohydrazide
CID 8637344
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276938
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-3-chlorobenzohydrazide
CID 8637210
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-ethylacetamide
CID 113218284
1-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-cyclopentylthiourea
CID 8622261
1-[3-(ethylsulfanylmethyl)-4-methoxyphenyl]ethanone
CID 43789568
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 24646869
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 24544679

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide (CID 9276455) is N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide is COc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1ccc(C)cc1C.
What is the InChIKey of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide?
The InChIKey is GJOGUFDMBMACDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-13-5-7-18(14(2)9-13)21(26)23-22-20(25)12-28-11-17-10-16(15(3)24)6-8-19(17)27-4/h5-10H,11-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide?
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide has a molecular weight of 400.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9276455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).