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

C25H20N4O3S — CID 5329808

IUPACN-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2oc3ncnc(N)c3c2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H20N4O3S/c1-33(30,31)29-20-9-5-8-19(14-20)23-21(22-24(26)27-15-28-25(22)32-23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-15,29H,1H3,(H2,26,27,28)
InChIKeyYPTADYIVARXAPS-UHFFFAOYSA-N
MW456.53 g/mol
LogP5.18
Rot. Bonds5

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

N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide (PubChem CID 5329808) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
PubChem CID5329808
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC NameN-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2oc3ncnc(N)c3c2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H20N4O3S/c1-33(30,31)29-20-9-5-8-19(14-20)23-21(22-24(26)27-15-28-25(22)32-23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-15,29H,1H3,(H2,26,27,28)
InChIKeyYPTADYIVARXAPS-UHFFFAOYSA-N
XLogP5.18
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide (CID 5329808) is N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2oc3ncnc(N)c3c2-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide?
The InChIKey is YPTADYIVARXAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-33(30,31)29-20-9-5-8-19(14-20)23-21(22-24(26)27-15-28-25(22)32-23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-15,29H,1H3,(H2,26,27,28).
What are the key properties of N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide?
N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide has a molecular weight of 456.53 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 5329808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).