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

C20H22N2O4S — CID 8637344

IUPACN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-4-6-15(7-5-13)20(25)22-21-19(24)12-27-11-17-10-16(14(2)23)8-9-18(17)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWWAUVUPGONCMGG-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.90
Rot. Bonds7

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

N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide (PubChem CID 8637344) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
PubChem CID8637344
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
SMILESCOc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O4S/c1-13-4-6-15(7-5-13)20(25)22-21-19(24)12-27-11-17-10-16(14(2)23)8-9-18(17)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWWAUVUPGONCMGG-UHFFFAOYSA-N
XLogP2.90
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.90
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-[(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
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-2,4-dimethylbenzohydrazide
CID 9276938
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100
N'-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-4-nitrobenzohydrazide
CID 9401570
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 24544679
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 24646869

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide (CID 8637344) is N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide is COc1ccc(C(C)=O)cc1CSCC(=O)NNC(=O)c1ccc(C)cc1.
What is the InChIKey of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
The InChIKey is WWAUVUPGONCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-4-6-15(7-5-13)20(25)22-21-19(24)12-27-11-17-10-16(14(2)23)8-9-18(17)26-3/h4-10H,11-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide?
N'-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide has a molecular weight of 386.47 g/mol, XLogP of 2.90, 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]-4-methylbenzohydrazide is sourced from PubChem (CID 8637344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).