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

C17H20N2O6S — CID 119237132

IUPAC3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C17H20N2O6S/c1-11-5-6-14(26(23,24)19-10-13-4-3-7-25-13)8-15(11)16(20)18-9-12(2)17(21)22/h3-8,12,19H,9-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyFBVIFOKTEHNAFM-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.52
Rot. Bonds8

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

3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid (PubChem CID 119237132) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
PubChem CID119237132
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C17H20N2O6S/c1-11-5-6-14(26(23,24)19-10-13-4-3-7-25-13)8-15(11)16(20)18-9-12(2)17(21)22/h3-8,12,19H,9-10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyFBVIFOKTEHNAFM-UHFFFAOYSA-N
XLogP1.52
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 75429428
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55981661
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
5-(furan-2-ylmethylsulfamoyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 46446715
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55506799
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56544048
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 134034036

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid (CID 119237132) is 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid?
The InChIKey is FBVIFOKTEHNAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-11-5-6-14(26(23,24)19-10-13-4-3-7-25-13)8-15(11)16(20)18-9-12(2)17(21)22/h3-8,12,19H,9-10H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid?
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid has a molecular weight of 380.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).