2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide

C22H26FN3O3S — CID 155421065

IUPAC2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
SMILESCC(C)N1CC(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C22H26FN3O3S/c1-14(2)26-12-16(13-26)30(28,29)25-22(27)11-20-17-4-3-5-18(17)21(23)10-19(20)15-6-8-24-9-7-15/h6-10,14,16H,3-5,11-13H2,1-2H3,(H,25,27)
InChIKeyTXYXEBFYOCTTJK-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.46
Rot. Bonds6

About 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide

2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide (PubChem CID 155421065) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
PubChem CID155421065
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC Name2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
SMILESCC(C)N1CC(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)C1
InChIInChI=1S/C22H26FN3O3S/c1-14(2)26-12-16(13-26)30(28,29)25-22(27)11-20-17-4-3-5-18(17)21(23)10-19(20)15-6-8-24-9-7-15/h6-10,14,16H,3-5,11-13H2,1-2H3,(H,25,27)
InChIKeyTXYXEBFYOCTTJK-UHFFFAOYSA-N
XLogP2.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The IUPAC name of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide (CID 155421065) is 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-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-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The canonical SMILES for 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide is CC(C)N1CC(S(=O)(=O)NC(=O)Cc2c(-c3ccncc3)cc(F)c3c2CCC3)C1.
What is the InChIKey of 2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?
The InChIKey is TXYXEBFYOCTTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c1-14(2)26-12-16(13-26)30(28,29)25-22(27)11-20-17-4-3-5-18(17)21(23)10-19(20)15-6-8-24-9-7-15/h6-10,14,16H,3-5,11-13H2,1-2H3,(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-propan-2-ylazetidin-3-yl)sulfonylacetamide?
2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide has a molecular weight of 431.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-propan-2-ylazetidin-3-yl)sulfonylacetamide is sourced from PubChem (CID 155421065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).