2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

C22H17N3O3S — CID 34425182

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C22H17N3O3S/c26-20(13-25-21(27)18-5-1-2-6-19(18)22(25)28)24-16-7-9-17(10-8-16)29-14-15-4-3-11-23-12-15/h1-12H,13-14H2,(H,24,26)
InChIKeyUUJOGDHBRZBQTM-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.61
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 34425182) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID34425182
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C22H17N3O3S/c26-20(13-25-21(27)18-5-1-2-6-19(18)22(25)28)24-16-7-9-17(10-8-16)29-14-15-4-3-11-23-12-15/h1-12H,13-14H2,(H,24,26)
InChIKeyUUJOGDHBRZBQTM-UHFFFAOYSA-N
XLogP3.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60563534
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166190460
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542331
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
2-(4-ethoxyphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 46669161
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55465757

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (CID 34425182) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is UUJOGDHBRZBQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c26-20(13-25-21(27)18-5-1-2-6-19(18)22(25)28)24-16-7-9-17(10-8-16)29-14-15-4-3-11-23-12-15/h1-12H,13-14H2,(H,24,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 34425182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).