1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone

C20H17FN2O2S — CID 10067604

IUPAC1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone
SMILESCS(=O)c1ccc(C(Nc2cccnc2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-26(25)18-10-6-14(7-11-18)19(23-17-3-2-12-22-13-17)20(24)15-4-8-16(21)9-5-15/h2-13,19,23H,1H3
InChIKeyCNYVDGNVBLSXLF-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone

1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone (PubChem CID 10067604) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone
PubChem CID10067604
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone
SMILESCS(=O)c1ccc(C(Nc2cccnc2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-26(25)18-10-6-14(7-11-18)19(23-17-3-2-12-22-13-17)20(24)15-4-8-16(21)9-5-15/h2-13,19,23H,1H3
InChIKeyCNYVDGNVBLSXLF-UHFFFAOYSA-N
XLogP3.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone (CID 10067604) is 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone is CS(=O)c1ccc(C(Nc2cccnc2)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone?
The InChIKey is CNYVDGNVBLSXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-26(25)18-10-6-14(7-11-18)19(23-17-3-2-12-22-13-17)20(24)15-4-8-16(21)9-5-15/h2-13,19,23H,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone?
1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone has a molecular weight of 368.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-2-(pyridin-3-ylamino)ethanone is sourced from PubChem (CID 10067604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).