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

C20H19NO6S — CID 170307603

IUPAC5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCC(=O)c1cccc(C(C)NS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)c1
InChIInChI=1S/C20H19NO6S/c1-11-17-10-16(7-8-18(17)27-19(11)20(23)24)28(25,26)21-12(2)14-5-4-6-15(9-14)13(3)22/h4-10,12,21H,1-3H3,(H,23,24)
InChIKeyHUYDPSKGSGECEL-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.68
Rot. Bonds6

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

5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 170307603) has the molecular formula C20H19NO6S and a molecular weight of 401.44 g/mol. Its IUPAC name is 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID170307603
Molecular FormulaC20H19NO6S
Molecular Weight401.44 g/mol
Exact Mass401.09
IUPAC Name5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCC(=O)c1cccc(C(C)NS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)c1
InChIInChI=1S/C20H19NO6S/c1-11-17-10-16(7-8-18(17)27-19(11)20(23)24)28(25,26)21-12(2)14-5-4-6-15(9-14)13(3)22/h4-10,12,21H,1-3H3,(H,23,24)
InChIKeyHUYDPSKGSGECEL-UHFFFAOYSA-N
XLogP3.68
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307561
5-[1-(4-aminophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307638
5-[1-(2-methoxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307582
ethyl 5-[1-(3-hydroxyphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 170307497
5-chlorosulfonyl-3-methyl-1-benzofuran-2-carboxylic acid
CID 53212392
4-acetyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2416651
3-methyl-5-[(3-nitrophenyl)sulfamoyl]-1-benzofuran-2-carboxylic acid
CID 175978275
N-[1-(3-bromophenyl)ethyl]-3-methyl-1-benzofuran-5-sulfonamide
CID 170307652
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 55703432
5-[2-(3-cyanophenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 170307499

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid (CID 170307603) is 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is CC(=O)c1cccc(C(C)NS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)c1.
What is the InChIKey of 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is HUYDPSKGSGECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S/c1-11-17-10-16(7-8-18(17)27-19(11)20(23)24)28(25,26)21-12(2)14-5-4-6-15(9-14)13(3)22/h4-10,12,21H,1-3H3,(H,23,24).
What are the key properties of 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid?
5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 401.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-acetylphenyl)ethylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 170307603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).