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

C19H19FN6O4S — CID 15605078

IUPAC2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide
SMILESCc1cc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)ccc1OCC(N)=O
InChIInChI=1S/C19H19FN6O4S/c1-11-7-13(5-6-16(11)30-10-17(21)27)24-18-15(20)9-23-19(26-18)25-12-3-2-4-14(8-12)31(22,28)29/h2-9H,10H2,1H3,(H2,21,27)(H2,22,28,29)(H2,23,24,25,26)
InChIKeyXKEIAUQAVHFLJL-UHFFFAOYSA-N
MW446.46 g/mol
LogP1.92
Rot. Bonds8

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

2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide (PubChem CID 15605078) has the molecular formula C19H19FN6O4S and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide
PubChem CID15605078
Molecular FormulaC19H19FN6O4S
Molecular Weight446.46 g/mol
Exact Mass446.12
IUPAC Name2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide
SMILESCc1cc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)ccc1OCC(N)=O
InChIInChI=1S/C19H19FN6O4S/c1-11-7-13(5-6-16(11)30-10-17(21)27)24-18-15(20)9-23-19(26-18)25-12-3-2-4-14(8-12)31(22,28)29/h2-9H,10H2,1H3,(H2,21,27)(H2,22,28,29)(H2,23,24,25,26)
InChIKeyXKEIAUQAVHFLJL-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-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[[4-[4-(cyanomethoxy)-3-methylanilino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 15605408
3-[[4-(3-aminoanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 59174760
2-[[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methylamino]butanamide
CID 68874129
5-[[4-[4-(cyanomethoxy)-3-methylanilino]-5-fluoropyrimidin-2-yl]amino]-2-fluorobenzenesulfonamide
CID 15605546
3-[[5-fluoro-4-(4-pyridin-4-yloxyanilino)pyrimidin-2-yl]amino]benzenesulfonamide
CID 68870477
3-[[5-fluoro-4-[4-(prop-2-ynylsulfamoyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 23648558
3-[[5-fluoro-4-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 68874854
methyl 5-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]thiophene-2-carboxylate
CID 25123992
2-[2-chloro-4-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide
CID 68872282
[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]methylurea
CID 68873174
3-[[5-fluoro-4-[[1-(3-methoxypropyl)indazol-5-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25127639
2-[2-fluoro-4-[[5-methyl-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N,N-dimethylacetamide
CID 68871284

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide?
The IUPAC name of 2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide (CID 15605078) is 2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide is Cc1cc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide?
The InChIKey is XKEIAUQAVHFLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O4S/c1-11-7-13(5-6-16(11)30-10-17(21)27)24-18-15(20)9-23-19(26-18)25-12-3-2-4-14(8-12)31(22,28)29/h2-9H,10H2,1H3,(H2,21,27)(H2,22,28,29)(H2,23,24,25,26).
What are the key properties of 2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide?
2-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]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-[4-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]-2-methylphenoxy]acetamide is sourced from PubChem (CID 15605078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).