2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide

C22H24FN3O3S2 — CID 155421049

IUPAC2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide
SMILESO=C(Cc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)C1CN(C2CSC2)C1
InChIInChI=1S/C22H24FN3O3S2/c23-21-8-19(14-4-6-24-7-5-14)20(17-2-1-3-18(17)21)9-22(27)25-31(28,29)16-10-26(11-16)15-12-30-13-15/h4-8,15-16H,1-3,9-13H2,(H,25,27)
InChIKeyOQYYLUNEBRXMBT-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.16
Rot. Bonds6

About 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide

2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide (PubChem CID 155421049) has the molecular formula C22H24FN3O3S2 and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide.

Molecular Properties

Compound Name2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide
PubChem CID155421049
Molecular FormulaC22H24FN3O3S2
Molecular Weight461.58 g/mol
Exact Mass461.12
IUPAC Name2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide
SMILESO=C(Cc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)C1CN(C2CSC2)C1
InChIInChI=1S/C22H24FN3O3S2/c23-21-8-19(14-4-6-24-7-5-14)20(17-2-1-3-18(17)21)9-22(27)25-31(28,29)16-10-26(11-16)15-12-30-13-15/h4-8,15-16H,1-3,9-13H2,(H,25,27)
InChIKeyOQYYLUNEBRXMBT-UHFFFAOYSA-N
XLogP2.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide 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 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide?
The IUPAC name of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide (CID 155421049) is 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide.
What is the SMILES notation for 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide?
The canonical SMILES for 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide is O=C(Cc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)C1CN(C2CSC2)C1.
What is the InChIKey of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide?
The InChIKey is OQYYLUNEBRXMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S2/c23-21-8-19(14-4-6-24-7-5-14)20(17-2-1-3-18(17)21)9-22(27)25-31(28,29)16-10-26(11-16)15-12-30-13-15/h4-8,15-16H,1-3,9-13H2,(H,25,27).
What are the key properties of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide?
2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide has a molecular weight of 461.58 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-[1-(thietan-3-yl)azetidin-3-yl]sulfonylacetamide is sourced from PubChem (CID 155421049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).