N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide

C20H19FN4O4S — CID 69208758

IUPACN-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide
SMILESCOc1ccc(N2C(c3ccc(F)c(NS(C)(=O)=O)c3)=Nc3occc3C2N)cc1
InChIInChI=1S/C20H19FN4O4S/c1-28-14-6-4-13(5-7-14)25-18(22)15-9-10-29-20(15)23-19(25)12-3-8-16(21)17(11-12)24-30(2,26)27/h3-11,18,24H,22H2,1-2H3
InChIKeySPEKHOBNOBKJEX-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.35
Rot. Bonds5

About N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide

N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide (PubChem CID 69208758) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide
PubChem CID69208758
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC NameN-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide
SMILESCOc1ccc(N2C(c3ccc(F)c(NS(C)(=O)=O)c3)=Nc3occc3C2N)cc1
InChIInChI=1S/C20H19FN4O4S/c1-28-14-6-4-13(5-7-14)25-18(22)15-9-10-29-20(15)23-19(25)12-3-8-16(21)17(11-12)24-30(2,26)27/h3-11,18,24H,22H2,1-2H3
InChIKeySPEKHOBNOBKJEX-UHFFFAOYSA-N
XLogP3.35
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide (CID 69208758) is N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide is COc1ccc(N2C(c3ccc(F)c(NS(C)(=O)=O)c3)=Nc3occc3C2N)cc1.
What is the InChIKey of N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide?
The InChIKey is SPEKHOBNOBKJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-28-14-6-4-13(5-7-14)25-18(22)15-9-10-29-20(15)23-19(25)12-3-8-16(21)17(11-12)24-30(2,26)27/h3-11,18,24H,22H2,1-2H3.
What are the key properties of N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide?
N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide has a molecular weight of 430.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 69208758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).