5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

C19H19NO6S — CID 170307476

IUPAC5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1
InChIInChI=1S/C19H19NO6S/c1-12-16-11-15(7-8-17(16)26-18(12)19(21)22)27(23,24)20-10-9-13-3-5-14(25-2)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyCRJOKULBVPCYNW-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.97
Rot. Bonds7

About 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid

5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 170307476) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID170307476
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1
InChIInChI=1S/C19H19NO6S/c1-12-16-11-15(7-8-17(16)26-18(12)19(21)22)27(23,24)20-10-9-13-3-5-14(25-2)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyCRJOKULBVPCYNW-UHFFFAOYSA-N
XLogP2.97
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(5-methoxy-3-pyridinyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307512
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
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
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
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (CID 170307476) is 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is COc1ccc(CCNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is CRJOKULBVPCYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-12-16-11-15(7-8-17(16)26-18(12)19(21)22)27(23,24)20-10-9-13-3-5-14(25-2)6-4-13/h3-8,11,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 389.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 170307476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).