5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

C18H18N2O6S — CID 170307512

IUPAC5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1cncc(CCNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)c1
InChIInChI=1S/C18H18N2O6S/c1-11-15-8-14(3-4-16(15)26-17(11)18(21)22)27(23,24)20-6-5-12-7-13(25-2)10-19-9-12/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22)
InChIKeySZUXNLHEXHKJSG-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.36
Rot. Bonds7

About 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 170307512) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID170307512
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1cncc(CCNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)c1
InChIInChI=1S/C18H18N2O6S/c1-11-15-8-14(3-4-16(15)26-17(11)18(21)22)27(23,24)20-6-5-12-7-13(25-2)10-19-9-12/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22)
InChIKeySZUXNLHEXHKJSG-UHFFFAOYSA-N
XLogP2.36
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307476
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 3240137
5-[2-(4-iodophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307649
5-[2-(3-cyanophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307499
ethyl 5-[2-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 169244621
ethyl 3-methyl-5-[2-[3-(methylamino)phenyl]ethylsulfamoyl]-1-benzofuran-2-carboxylate
CID 170307542
5-chlorosulfonyl-3-methyl-1-benzofuran-2-carboxylic acid
CID 53212392
5-[1-(2-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307582
ethyl 5-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 169244664
3-methyl-5-[(3-nitrophenyl)sulfamoyl]-1-benzofuran-2-carboxylic acid
CID 175978275
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
5-[1-(4-aminophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307638

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (CID 170307512) is 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is COc1cncc(CCNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)c1.
What is the InChIKey of 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is SZUXNLHEXHKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-11-15-8-14(3-4-16(15)26-17(11)18(21)22)27(23,24)20-6-5-12-7-13(25-2)10-19-9-12/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22).
What are the key properties of 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 390.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 170307512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).