N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide

C26H25N3O2S — CID 139981168

IUPACN-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide
SMILESCSc1cc2c(C3CCOC3)cccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C26H25N3O2S/c1-32-26-15-23-22(19-11-13-31-17-19)5-2-6-24(23)29(26)21-9-7-20(8-10-21)28-25(30)14-18-4-3-12-27-16-18/h2-10,12,15-16,19H,11,13-14,17H2,1H3,(H,28,30)
InChIKeyGQPOMLBBGQOXLK-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.43
Rot. Bonds6

About N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide

N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide (PubChem CID 139981168) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide
PubChem CID139981168
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC NameN-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide
SMILESCSc1cc2c(C3CCOC3)cccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C26H25N3O2S/c1-32-26-15-23-22(19-11-13-31-17-19)5-2-6-24(23)29(26)21-9-7-20(8-10-21)28-25(30)14-18-4-3-12-27-16-18/h2-10,12,15-16,19H,11,13-14,17H2,1H3,(H,28,30)
InChIKeyGQPOMLBBGQOXLK-UHFFFAOYSA-N
XLogP5.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide 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 N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide (CID 139981168) is N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide is CSc1cc2c(C3CCOC3)cccc2n1-c1ccc(NC(=O)Cc2cccnc2)cc1.
What is the InChIKey of N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is GQPOMLBBGQOXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-32-26-15-23-22(19-11-13-31-17-19)5-2-6-24(23)29(26)21-9-7-20(8-10-21)28-25(30)14-18-4-3-12-27-16-18/h2-10,12,15-16,19H,11,13-14,17H2,1H3,(H,28,30).
What are the key properties of N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide?
N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 443.57 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methylsulfanyl-4-(oxolan-3-yl)indol-1-yl]phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 139981168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).