N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide

C19H16FN3O3S — CID 143531128

IUPACN-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
SMILESCS(=O)c1cc(F)ccc1CNC(=O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C19H16FN3O3S/c1-27(25)17-11-15(20)7-6-14(17)12-23-18(24)13-4-2-5-16(10-13)26-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyYLSXKPCDBTUOSL-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.08
Rot. Bonds6

About N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide

N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide (PubChem CID 143531128) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
PubChem CID143531128
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
SMILESCS(=O)c1cc(F)ccc1CNC(=O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C19H16FN3O3S/c1-27(25)17-11-15(20)7-6-14(17)12-23-18(24)13-4-2-5-16(10-13)26-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyYLSXKPCDBTUOSL-UHFFFAOYSA-N
XLogP3.08
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide (CID 143531128) is N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide is CS(=O)c1cc(F)ccc1CNC(=O)c1cccc(Oc2ncccn2)c1.
What is the InChIKey of N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The InChIKey is YLSXKPCDBTUOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-27(25)17-11-15(20)7-6-14(17)12-23-18(24)13-4-2-5-16(10-13)26-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide has a molecular weight of 385.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylsulfinylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 143531128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).