2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

C24H25FN2O2S — CID 142470169

IUPAC2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCc1ccc(S(=O)(=O)N2c3cccnc3CCC2CCc2ccc(C)cc2F)cc1
InChIInChI=1S/C24H25FN2O2S/c1-17-6-12-21(13-7-17)30(28,29)27-20(11-14-23-24(27)4-3-15-26-23)10-9-19-8-5-18(2)16-22(19)25/h3-8,12-13,15-16,20H,9-11,14H2,1-2H3
InChIKeyNNQFKUZGOVYRPR-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.98
Rot. Bonds5

About 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 142470169) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID142470169
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC Name2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCc1ccc(S(=O)(=O)N2c3cccnc3CCC2CCc2ccc(C)cc2F)cc1
InChIInChI=1S/C24H25FN2O2S/c1-17-6-12-21(13-7-17)30(28,29)27-20(11-14-23-24(27)4-3-15-26-23)10-9-19-8-5-18(2)16-22(19)25/h3-8,12-13,15-16,20H,9-11,14H2,1-2H3
InChIKeyNNQFKUZGOVYRPR-UHFFFAOYSA-N
XLogP4.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (CID 142470169) is 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is Cc1ccc(S(=O)(=O)N2c3cccnc3CCC2CCc2ccc(C)cc2F)cc1.
What is the InChIKey of 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is NNQFKUZGOVYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-17-6-12-21(13-7-17)30(28,29)27-20(11-14-23-24(27)4-3-15-26-23)10-9-19-8-5-18(2)16-22(19)25/h3-8,12-13,15-16,20H,9-11,14H2,1-2H3.
What are the key properties of 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 424.54 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-methylphenyl)ethyl]-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 142470169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).