N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide

C24H23N3O4S — CID 158939204

IUPACN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(NS(=O)c3ccc4c(c3)OCCO4)c1)=NC2
InChIInChI=1S/C24H23N3O4S/c1-15(2)31-18-4-3-17-14-26-24(20(17)12-18)16-7-8-25-23(11-16)27-32(28)19-5-6-21-22(13-19)30-10-9-29-21/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,27)
InChIKeyVETJOOHGOMHTQX-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.13
Rot. Bonds6

About N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide

N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide (PubChem CID 158939204) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide.

Molecular Properties

Compound NameN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide
PubChem CID158939204
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(NS(=O)c3ccc4c(c3)OCCO4)c1)=NC2
InChIInChI=1S/C24H23N3O4S/c1-15(2)31-18-4-3-17-14-26-24(20(17)12-18)16-7-8-25-23(11-16)27-32(28)19-5-6-21-22(13-19)30-10-9-29-21/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,27)
InChIKeyVETJOOHGOMHTQX-UHFFFAOYSA-N
XLogP4.13
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide with MolForge

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Related Compounds

N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2-(tetrazol-1-yl)pyridine-4-carboxamide
CID 158833367
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 158888196
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955901
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)butan-2-one
CID 115479410
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 170976912
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24534310
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
methyl 2-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)acetate
CID 115478735

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide?
The IUPAC name of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide (CID 158939204) is N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide.
What is the SMILES notation for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide?
The canonical SMILES for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide is CC(C)Oc1ccc2c(c1)C(c1ccnc(NS(=O)c3ccc4c(c3)OCCO4)c1)=NC2.
What is the InChIKey of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide?
The InChIKey is VETJOOHGOMHTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-15(2)31-18-4-3-17-14-26-24(20(17)12-18)16-7-8-25-23(11-16)27-32(28)19-5-6-21-22(13-19)30-10-9-29-21/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide?
N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide has a molecular weight of 449.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfinamide is sourced from PubChem (CID 158939204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).