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

C18H17FN6O4S — CID 15605077

IUPAC2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2F)c1
InChIInChI=1S/C18H17FN6O4S/c19-15-9-22-18(24-11-4-6-14(7-5-11)30(21,27)28)25-17(15)23-12-2-1-3-13(8-12)29-10-16(20)26/h1-9H,10H2,(H2,20,26)(H2,21,27,28)(H2,22,23,24,25)
InChIKeyRQHWHYGKVOSNKX-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.61
Rot. Bonds8

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

2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide (PubChem CID 15605077) has the molecular formula C18H17FN6O4S and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
PubChem CID15605077
Molecular FormulaC18H17FN6O4S
Molecular Weight432.44 g/mol
Exact Mass432.10
IUPAC Name2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2F)c1
InChIInChI=1S/C18H17FN6O4S/c19-15-9-22-18(24-11-4-6-14(7-5-11)30(21,27)28)25-17(15)23-12-2-1-3-13(8-12)29-10-16(20)26/h1-9H,10H2,(H2,20,26)(H2,21,27,28)(H2,22,23,24,25)
InChIKeyRQHWHYGKVOSNKX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The IUPAC name of 2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide (CID 15605077) is 2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide is NC(=O)COc1cccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2F)c1.
What is the InChIKey of 2-[3-[[5-fluoro-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
The InChIKey is RQHWHYGKVOSNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O4S/c19-15-9-22-18(24-11-4-6-14(7-5-11)30(21,27)28)25-17(15)23-12-2-1-3-13(8-12)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-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide?
2-[3-[[5-fluoro-2-(4-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-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide is sourced from PubChem (CID 15605077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).