N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide

C20H18N4O4S — CID 5329806

IUPACN-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2c(-c3cccc(NS(C)(=O)=O)c3)oc3ncnc(N)c23)cc1
InChIInChI=1S/C20H18N4O4S/c1-27-15-8-6-12(7-9-15)16-17-19(21)22-11-23-20(17)28-18(16)13-4-3-5-14(10-13)24-29(2,25)26/h3-11,24H,1-2H3,(H2,21,22,23)
InChIKeyQSUZLYWASFSPHS-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.52
Rot. Bonds5

About N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide

N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide (PubChem CID 5329806) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
PubChem CID5329806
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(-c2c(-c3cccc(NS(C)(=O)=O)c3)oc3ncnc(N)c23)cc1
InChIInChI=1S/C20H18N4O4S/c1-27-15-8-6-12(7-9-15)16-17-19(21)22-11-23-20(17)28-18(16)13-4-3-5-14(10-13)24-29(2,25)26/h3-11,24H,1-2H3,(H2,21,22,23)
InChIKeyQSUZLYWASFSPHS-UHFFFAOYSA-N
XLogP3.52
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.52
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-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide (CID 5329806) is N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide is COc1ccc(-c2c(-c3cccc(NS(C)(=O)=O)c3)oc3ncnc(N)c23)cc1.
What is the InChIKey of N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide?
The InChIKey is QSUZLYWASFSPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-27-15-8-6-12(7-9-15)16-17-19(21)22-11-23-20(17)28-18(16)13-4-3-5-14(10-13)24-29(2,25)26/h3-11,24H,1-2H3,(H2,21,22,23).
What are the key properties of N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide has a molecular weight of 410.46 g/mol, XLogP of 3.52, 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-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 5329806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).