1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one

C22H19NO4S — CID 122623704

IUPAC1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)cc3cc(-c4ccccc4)oc23)cn(C)c1=O
InChIInChI=1S/C22H19NO4S/c1-14-9-17(13-23(2)22(14)24)19-12-18(28(3,25)26)10-16-11-20(27-21(16)19)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyWNFZVQDLQVHBHD-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.18
Rot. Bonds3

About 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one

1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one (PubChem CID 122623704) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one
PubChem CID122623704
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)cc3cc(-c4ccccc4)oc23)cn(C)c1=O
InChIInChI=1S/C22H19NO4S/c1-14-9-17(13-23(2)22(14)24)19-12-18(28(3,25)26)10-16-11-20(27-21(16)19)15-7-5-4-6-8-15/h4-13H,1-3H3
InChIKeyWNFZVQDLQVHBHD-UHFFFAOYSA-N
XLogP4.18
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one (CID 122623704) is 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one is Cc1cc(-c2cc(S(C)(=O)=O)cc3cc(-c4ccccc4)oc23)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one?
The InChIKey is WNFZVQDLQVHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-14-9-17(13-23(2)22(14)24)19-12-18(28(3,25)26)10-16-11-20(27-21(16)19)15-7-5-4-6-8-15/h4-13H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one?
1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one has a molecular weight of 393.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)pyridin-2-one is sourced from PubChem (CID 122623704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).