3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid

C19H24N2O6S — CID 75429428

IUPAC3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C19H24N2O6S/c1-4-21(12-14(3)19(23)24)18(22)17-10-16(8-7-13(17)2)28(25,26)20-11-15-6-5-9-27-15/h5-10,14,20H,4,11-12H2,1-3H3,(H,23,24)
InChIKeyWUMWDTLXIZWSRE-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.25
Rot. Bonds9

About 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid

3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid (PubChem CID 75429428) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
PubChem CID75429428
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C
InChIInChI=1S/C19H24N2O6S/c1-4-21(12-14(3)19(23)24)18(22)17-10-16(8-7-13(17)2)28(25,26)20-11-15-6-5-9-27-15/h5-10,14,20H,4,11-12H2,1-3H3,(H,23,24)
InChIKeyWUMWDTLXIZWSRE-UHFFFAOYSA-N
XLogP2.25
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic 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

3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-ethyl-N-(2-ethylbutyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 39482925
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 46794148
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 46691070

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid (CID 75429428) is 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C.
What is the InChIKey of 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid?
The InChIKey is WUMWDTLXIZWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-4-21(12-14(3)19(23)24)18(22)17-10-16(8-7-13(17)2)28(25,26)20-11-15-6-5-9-27-15/h5-10,14,20H,4,11-12H2,1-3H3,(H,23,24).
What are the key properties of 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid has a molecular weight of 408.48 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 75429428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).