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

C22H17N3O3S — CID 166190460

IUPACN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H17N3O3S/c26-20(14-29-13-15-4-3-11-23-12-15)24-16-7-9-17(10-8-16)25-21(27)18-5-1-2-6-19(18)22(25)28/h1-12H,13-14H2,(H,24,26)
InChIKeyYOJDGRRJPFPWES-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.75
Rot. Bonds6

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

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 166190460) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID166190460
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H17N3O3S/c26-20(14-29-13-15-4-3-11-23-12-15)24-16-7-9-17(10-8-16)25-21(27)18-5-1-2-6-19(18)22(25)28/h1-12H,13-14H2,(H,24,26)
InChIKeyYOJDGRRJPFPWES-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166227163
2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 34425182
N-[4-(ethylsulfonylamino)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55981281
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56506682
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 36542410
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-(9-ethylcarbazol-3-yl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667339
methyl 2-chloro-5-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55671008
2-benzylsulfanyl-N-[4-[2-[4-[(2-benzylsulfanylacetyl)amino]phenyl]pyrimidin-5-yl]phenyl]acetamide
CID 4176805
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47029696
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 60571186
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 166190460) is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is O=C(CSCc1cccnc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is YOJDGRRJPFPWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c26-20(14-29-13-15-4-3-11-23-12-15)24-16-7-9-17(10-8-16)25-21(27)18-5-1-2-6-19(18)22(25)28/h1-12H,13-14H2,(H,24,26).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 166190460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).