N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H19N3O5S — CID 108782762

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1oc(C)c(C)c1C#N
InChIInChI=1S/C18H19N3O5S/c1-11-12(2)26-18(14(11)10-19)20-27(23,24)16-9-13(6-7-15(16)25-3)21-8-4-5-17(21)22/h6-7,9,20H,4-5,8H2,1-3H3
InChIKeyIGVQFZXZZTZJCP-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.70
Rot. Bonds5

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 108782762) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID108782762
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1oc(C)c(C)c1C#N
InChIInChI=1S/C18H19N3O5S/c1-11-12(2)26-18(14(11)10-19)20-27(23,24)16-9-13(6-7-15(16)25-3)21-8-4-5-17(21)22/h6-7,9,20H,4-5,8H2,1-3H3
InChIKeyIGVQFZXZZTZJCP-UHFFFAOYSA-N
XLogP2.70
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 108782793
2-methoxy-N-(3-methoxyphenyl)-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295704
2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110617246
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
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
1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 110295630
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110310146
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
2-methoxy-5-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635810

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 108782762) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Nc1oc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is IGVQFZXZZTZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-11-12(2)26-18(14(11)10-19)20-27(23,24)16-9-13(6-7-15(16)25-3)21-8-4-5-17(21)22/h6-7,9,20H,4-5,8H2,1-3H3.
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 108782762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).