(R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide

C24H27FN2O3S — CID 166558824

IUPAC(R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2oc(N3Cc4ccc(F)cc4C3)cc(=O)c2c1
InChIInChI=1S/C24H27FN2O3S/c1-14-8-19(15(2)26-31(29)24(3,4)5)23-20(9-14)21(28)11-22(30-23)27-12-16-6-7-18(25)10-17(16)13-27/h6-11,15,26H,12-13H2,1-5H3/t15-,31-/m1/s1
InChIKeyZJZWTOMSOSYZFI-LHEBDHONSA-N
MW442.56 g/mol
LogP4.87
Rot. Bonds4

About (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 166558824) has the molecular formula C24H27FN2O3S and a molecular weight of 442.56 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID166558824
Molecular FormulaC24H27FN2O3S
Molecular Weight442.56 g/mol
Exact Mass442.17
IUPAC Name(R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2oc(N3Cc4ccc(F)cc4C3)cc(=O)c2c1
InChIInChI=1S/C24H27FN2O3S/c1-14-8-19(15(2)26-31(29)24(3,4)5)23-20(9-14)21(28)11-22(30-23)27-12-16-6-7-18(25)10-17(16)13-27/h6-11,15,26H,12-13H2,1-5H3/t15-,31-/m1/s1
InChIKeyZJZWTOMSOSYZFI-LHEBDHONSA-N
XLogP4.87
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 166035095
2-methyl-N-[(1R)-1-(6-methyl-4-oxo-2-thiomorpholin-4-ylchromen-8-yl)ethyl]propane-2-sulfinamide
CID 166035107
8-acetyl-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methylchromen-4-one
CID 156876307
2-[1-[2-(5-cyano-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]-5-fluorobenzoic acid
CID 156876350
6-chloro-3-[1-[6-fluoro-2-(5-fluoro-1,3-dihydroisoindol-2-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 156876706
methyl 2-[1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]benzoate
CID 166035157
5-[[(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 156876708
8-(1-anilinoethyl)-6-methyl-2-piperidin-1-ylchromen-4-one
CID 166778749
2-[[(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]-N-methylsulfonylbenzamide
CID 156876561
2-chloro-5-[1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethylamino]-1,3-thiazole-4-carboxylic acid
CID 156876522
6-chloro-3-[[(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]amino]pyridine-2-carboxylic acid
CID 156876197
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 166558824) is (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide is Cc1cc([C@@H](C)N[S@](=O)C(C)(C)C)c2oc(N3Cc4ccc(F)cc4C3)cc(=O)c2c1.
What is the InChIKey of (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ZJZWTOMSOSYZFI-LHEBDHONSA-N. The full InChI is InChI=1S/C24H27FN2O3S/c1-14-8-19(15(2)26-31(29)24(3,4)5)23-20(9-14)21(28)11-22(30-23)27-12-16-6-7-18(25)10-17(16)13-27/h6-11,15,26H,12-13H2,1-5H3/t15-,31-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 442.56 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-6-methyl-4-oxochromen-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166558824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).