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

C18H17FN6O4S — CID 15605017

IUPAC2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)c1
InChIInChI=1S/C18H17FN6O4S/c19-15-9-22-18(24-12-4-2-6-14(8-12)30(21,27)28)25-17(15)23-11-3-1-5-13(7-11)29-10-16(20)26/h1-9H,10H2,(H2,20,26)(H2,21,27,28)(H2,22,23,24,25)
InChIKeyXUMCCVIBBVMHTM-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.61
Rot. Bonds8

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

2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide (PubChem CID 15605017) has the molecular formula C18H17FN6O4S and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
PubChem CID15605017
Molecular FormulaC18H17FN6O4S
Molecular Weight432.44 g/mol
Exact Mass432.10
IUPAC Name2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)c1
InChIInChI=1S/C18H17FN6O4S/c19-15-9-22-18(24-12-4-2-6-14(8-12)30(21,27)28)25-17(15)23-11-3-1-5-13(7-11)29-10-16(20)26/h1-9H,10H2,(H2,20,26)(H2,21,27,28)(H2,22,23,24,25)
InChIKeyXUMCCVIBBVMHTM-UHFFFAOYSA-N
XLogP1.61
TPSA162.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[3-[[5-fluoro-2-(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

Related Compounds

Fedratinib
CID 16722836
R-348
CID 23648971
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 25138033
N-[3-[[5-fluoro-2-[4-[(4-methoxyphenyl)sulfonylamino]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 137640150
N2,N4-bis[3-(2-hydroxyethoxy)phenyl]-5-fluoro-2,4-pyrimidinediamine
CID 22061183
3-[[5-methyl-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25127317
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
CID 53330386
3-[[4-[(2,2-difluoro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 67046929
2-[4-[[5-Fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]phenoxy]acetamide
CID 118729103
2-[3-[[5-fluoro-4-[4-(trifluoromethoxy)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 118729108
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1103426
2-Phenoxy-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 3151769

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The IUPAC name of 2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide (CID 15605017) is 2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide is NC(=O)COc1cccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)c1.
What is the InChIKey of 2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The InChIKey is XUMCCVIBBVMHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O4S/c19-15-9-22-18(24-12-4-2-6-14(8-12)30(21,27)28)25-17(15)23-11-3-1-5-13(7-11)29-10-16(20)26/h1-9H,10H2,(H2,20,26)(H2,21,27,28)(H2,22,23,24,25).
What are the key properties of 2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
2-[3-[[5-fluoro-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide has a molecular weight of 432.44 g/mol, XLogP of 1.61, 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-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide is sourced from PubChem (CID 15605017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).