7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile

C24H23N3O3S — CID 11524865

IUPAC7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile
SMILESCCS(=O)(=O)N1c2ccc(OC3CNC3)cc2CC1c1ccc2ccc(C#N)cc2c1
InChIInChI=1S/C24H23N3O3S/c1-2-31(28,29)27-23-8-7-21(30-22-14-26-15-22)11-20(23)12-24(27)18-6-5-17-4-3-16(13-25)9-19(17)10-18/h3-11,22,24,26H,2,12,14-15H2,1H3
InChIKeyHJVKECKFWMNLAX-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.52
Rot. Bonds5

About 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile

7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile (PubChem CID 11524865) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile
PubChem CID11524865
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile
SMILESCCS(=O)(=O)N1c2ccc(OC3CNC3)cc2CC1c1ccc2ccc(C#N)cc2c1
InChIInChI=1S/C24H23N3O3S/c1-2-31(28,29)27-23-8-7-21(30-22-14-26-15-22)11-20(23)12-24(27)18-6-5-17-4-3-16(13-25)9-19(17)10-18/h3-11,22,24,26H,2,12,14-15H2,1H3
InChIKeyHJVKECKFWMNLAX-UHFFFAOYSA-N
XLogP3.52
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile?
The IUPAC name of 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile (CID 11524865) is 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile.
What is the SMILES notation for 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile?
The canonical SMILES for 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile is CCS(=O)(=O)N1c2ccc(OC3CNC3)cc2CC1c1ccc2ccc(C#N)cc2c1.
What is the InChIKey of 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile?
The InChIKey is HJVKECKFWMNLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-2-31(28,29)27-23-8-7-21(30-22-14-26-15-22)11-20(23)12-24(27)18-6-5-17-4-3-16(13-25)9-19(17)10-18/h3-11,22,24,26H,2,12,14-15H2,1H3.
What are the key properties of 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile?
7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile has a molecular weight of 433.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(azetidin-3-yloxy)-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile is sourced from PubChem (CID 11524865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).