N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide

C22H20N2O4S — CID 122623722

IUPACN-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cc3cc(-c4ccccc4)oc23)cn(C)c1=O
InChIInChI=1S/C22H20N2O4S/c1-14-9-17(13-24(2)22(14)25)19-12-18(23-29(3,26)27)10-16-11-20(28-21(16)19)15-7-5-4-6-8-15/h4-13,23H,1-3H3
InChIKeyCWTBTGRGLZOOIY-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.15
Rot. Bonds4

About N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide

N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide (PubChem CID 122623722) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide
PubChem CID122623722
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cc3cc(-c4ccccc4)oc23)cn(C)c1=O
InChIInChI=1S/C22H20N2O4S/c1-14-9-17(13-24(2)22(14)25)19-12-18(23-29(3,26)27)10-16-11-20(28-21(16)19)15-7-5-4-6-8-15/h4-13,23H,1-3H3
InChIKeyCWTBTGRGLZOOIY-UHFFFAOYSA-N
XLogP4.15
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide?
The IUPAC name of N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide (CID 122623722) is N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide.
What is the SMILES notation for N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide?
The canonical SMILES for N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)cc3cc(-c4ccccc4)oc23)cn(C)c1=O.
What is the InChIKey of N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide?
The InChIKey is CWTBTGRGLZOOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-14-9-17(13-24(2)22(14)25)19-12-18(23-29(3,26)27)10-16-11-20(28-21(16)19)15-7-5-4-6-8-15/h4-13,23H,1-3H3.
What are the key properties of N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide?
N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-phenyl-1-benzofuran-5-yl]methanesulfonamide is sourced from PubChem (CID 122623722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).