2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide

C19H19FN6O4S — CID 15605076

IUPAC2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
SMILESCc1ccc(Nc2ncc(F)c(Nc3cccc(OCC(N)=O)c3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C19H19FN6O4S/c1-11-5-6-13(8-16(11)31(22,28)29)25-19-23-9-15(20)18(26-19)24-12-3-2-4-14(7-12)30-10-17(21)27/h2-9H,10H2,1H3,(H2,21,27)(H2,22,28,29)(H2,23,24,25,26)
InChIKeyNPSVBRZXJXSVJW-UHFFFAOYSA-N
MW446.46 g/mol
LogP1.92
Rot. Bonds8

About 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide

2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide (PubChem CID 15605076) has the molecular formula C19H19FN6O4S and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
PubChem CID15605076
Molecular FormulaC19H19FN6O4S
Molecular Weight446.46 g/mol
Exact Mass446.12
IUPAC Name2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
SMILESCc1ccc(Nc2ncc(F)c(Nc3cccc(OCC(N)=O)c3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C19H19FN6O4S/c1-11-5-6-13(8-16(11)31(22,28)29)25-19-23-9-15(20)18(26-19)24-12-3-2-4-14(7-12)30-10-17(21)27/h2-9H,10H2,1H3,(H2,21,27)(H2,22,28,29)(H2,23,24,25,26)
InChIKeyNPSVBRZXJXSVJW-UHFFFAOYSA-N
XLogP1.92
TPSA162.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The IUPAC name of 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide (CID 15605076) is 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide is Cc1ccc(Nc2ncc(F)c(Nc3cccc(OCC(N)=O)c3)n2)cc1S(N)(=O)=O.
What is the InChIKey of 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The InChIKey is NPSVBRZXJXSVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O4S/c1-11-5-6-13(8-16(11)31(22,28)29)25-19-23-9-15(20)18(26-19)24-12-3-2-4-14(7-12)30-10-17(21)27/h2-9H,10H2,1H3,(H2,21,27)(H2,22,28,29)(H2,23,24,25,26).
What are the key properties of 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide has a molecular weight of 446.46 g/mol, XLogP of 1.92, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-fluoro-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide is sourced from PubChem (CID 15605076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).