N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C19H19N3O6S — CID 108782793

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1oc(C)c(C(C)=O)c1C#N
InChIInChI=1S/C19H19N3O6S/c1-11(23)18-12(2)28-19(14(18)10-20)21-29(25,26)16-9-13(6-7-15(16)27-3)22-8-4-5-17(22)24/h6-7,9,21H,4-5,8H2,1-3H3
InChIKeyGDPJSGXEAQDKLB-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.60
Rot. Bonds6

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 108782793) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID108782793
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1oc(C)c(C(C)=O)c1C#N
InChIInChI=1S/C19H19N3O6S/c1-11(23)18-12(2)28-19(14(18)10-20)21-29(25,26)16-9-13(6-7-15(16)27-3)22-8-4-5-17(22)24/h6-7,9,21H,4-5,8H2,1-3H3
InChIKeyGDPJSGXEAQDKLB-UHFFFAOYSA-N
XLogP2.60
TPSA129.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 108782762
2-methoxy-N-(3-methoxyphenyl)-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295704
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635928
2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110310815
2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110617246
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110310146
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100745693
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295662
N-(2-methoxy-3-pyridinyl)-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46966844
1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 110295630
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 108782793) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1oc(C)c(C(C)=O)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is GDPJSGXEAQDKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-11(23)18-12(2)28-19(14(18)10-20)21-29(25,26)16-9-13(6-7-15(16)27-3)22-8-4-5-17(22)24/h6-7,9,21H,4-5,8H2,1-3H3.
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 417.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 108782793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).