3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one

C20H16N2OS — CID 14739491

IUPAC3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(Sc2ccccc2)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C20H16N2OS/c1-20(24-16-11-6-3-7-12-16)17-13-8-14-21-18(17)22(19(20)23)15-9-4-2-5-10-15/h2-14H,1H3
InChIKeySFQCGELTRSGIKQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.77
Rot. Bonds3

About 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one

3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739491) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739491
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1(Sc2ccccc2)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C20H16N2OS/c1-20(24-16-11-6-3-7-12-16)17-13-8-14-21-18(17)22(19(20)23)15-9-4-2-5-10-15/h2-14H,1H3
InChIKeySFQCGELTRSGIKQ-UHFFFAOYSA-N
XLogP4.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one (CID 14739491) is 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one is CC1(Sc2ccccc2)C(=O)N(c2ccccc2)c2ncccc21.
What is the InChIKey of 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is SFQCGELTRSGIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-20(24-16-11-6-3-7-12-16)17-13-8-14-21-18(17)22(19(20)23)15-9-4-2-5-10-15/h2-14H,1H3.
What are the key properties of 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one?
3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 332.43 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).