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

C20H20N4O4S — CID 69205824

IUPACN-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(N2C(c3cccc(NS(C)(=O)=O)c3)=Nc3occc3C2N)cc1
InChIInChI=1S/C20H20N4O4S/c1-27-16-8-6-15(7-9-16)24-18(21)17-10-11-28-20(17)22-19(24)13-4-3-5-14(12-13)23-29(2,25)26/h3-12,18,23H,21H2,1-2H3
InChIKeyDAXXPWMFVGGMGT-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.22
Rot. Bonds5

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

N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide (PubChem CID 69205824) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide
PubChem CID69205824
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(N2C(c3cccc(NS(C)(=O)=O)c3)=Nc3occc3C2N)cc1
InChIInChI=1S/C20H20N4O4S/c1-27-16-8-6-15(7-9-16)24-18(21)17-10-11-28-20(17)22-19(24)13-4-3-5-14(12-13)23-29(2,25)26/h3-12,18,23H,21H2,1-2H3
InChIKeyDAXXPWMFVGGMGT-UHFFFAOYSA-N
XLogP3.22
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide (CID 69205824) is N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide is COc1ccc(N2C(c3cccc(NS(C)(=O)=O)c3)=Nc3occc3C2N)cc1.
What is the InChIKey of N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is DAXXPWMFVGGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-27-16-8-6-15(7-9-16)24-18(21)17-10-11-28-20(17)22-19(24)13-4-3-5-14(12-13)23-29(2,25)26/h3-12,18,23H,21H2,1-2H3.
What are the key properties of N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide?
N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 412.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 69205824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).