3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide

C24H23N3O3S — CID 4836158

IUPAC3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide
SMILESCc1ccc(SCCC(=O)NNC2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C24H23N3O3S/c1-16-6-10-20(11-7-16)31-13-12-22(28)26-25-21-15-23(29)27(24(21)30)19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14,21,25H,12-13,15H2,1H3,(H,26,28)
InChIKeyBJESEZHIQVTOOY-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.58
Rot. Bonds7

About 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide

3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide (PubChem CID 4836158) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide
PubChem CID4836158
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide
SMILESCc1ccc(SCCC(=O)NNC2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C24H23N3O3S/c1-16-6-10-20(11-7-16)31-13-12-22(28)26-25-21-15-23(29)27(24(21)30)19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14,21,25H,12-13,15H2,1H3,(H,26,28)
InChIKeyBJESEZHIQVTOOY-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide
CID 2119946
N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
CID 2119955
N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
CID 1120118
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
CID 3940606
N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide
CID 3839764
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025869
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]undec-10-enehydrazide
CID 7494358
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[3-[2-(naphthalene-2-carbonyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21171413
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
CID 1120071
N'-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025893
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetohydrazide
CID 125117682
3-(2-hydroxyethylsulfanyl)-1-naphthalen-2-ylpyrrolidine-2,5-dione
CID 17354862

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide (CID 4836158) is 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide is Cc1ccc(SCCC(=O)NNC2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide?
The InChIKey is BJESEZHIQVTOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-6-10-20(11-7-16)31-13-12-22(28)26-25-21-15-23(29)27(24(21)30)19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14,21,25H,12-13,15H2,1H3,(H,26,28).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide?
3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide has a molecular weight of 433.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N'-(1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl)propanehydrazide is sourced from PubChem (CID 4836158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).