5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine

C18H22N2O3S — CID 97463727

IUPAC5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCOCc1cncc2c1CCN(S(=O)(=O)c1ccc(C)cc1)C2
InChIInChI=1S/C18H22N2O3S/c1-3-23-13-16-11-19-10-15-12-20(9-8-18(15)16)24(21,22)17-6-4-14(2)5-7-17/h4-7,10-11H,3,8-9,12-13H2,1-2H3
InChIKeyKFXFGPANRGRYJV-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.67
Rot. Bonds5

About 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine

5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463727) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463727
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCOCc1cncc2c1CCN(S(=O)(=O)c1ccc(C)cc1)C2
InChIInChI=1S/C18H22N2O3S/c1-3-23-13-16-11-19-10-15-12-20(9-8-18(15)16)24(21,22)17-6-4-14(2)5-7-17/h4-7,10-11H,3,8-9,12-13H2,1-2H3
InChIKeyKFXFGPANRGRYJV-UHFFFAOYSA-N
XLogP2.67
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine (CID 97463727) is 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine is CCOCc1cncc2c1CCN(S(=O)(=O)c1ccc(C)cc1)C2.
What is the InChIKey of 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is KFXFGPANRGRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-23-13-16-11-19-10-15-12-20(9-8-18(15)16)24(21,22)17-6-4-14(2)5-7-17/h4-7,10-11H,3,8-9,12-13H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine?
5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 346.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).