2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid

C16H18N2O6S — CID 119223860

IUPAC2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)O
InChIInChI=1S/C16H18N2O6S/c1-2-14(16(20)21)18-15(19)11-5-7-13(8-6-11)25(22,23)17-10-12-4-3-9-24-12/h3-9,14,17H,2,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyCJTKUZXWWBWBDD-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.35
Rot. Bonds8

About 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid

2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid (PubChem CID 119223860) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
PubChem CID119223860
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)O
InChIInChI=1S/C16H18N2O6S/c1-2-14(16(20)21)18-15(19)11-5-7-13(8-6-11)25(22,23)17-10-12-4-3-9-24-12/h3-9,14,17H,2,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyCJTKUZXWWBWBDD-UHFFFAOYSA-N
XLogP1.35
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
N-ethyl-N-(2-ethylbutyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 39482925
4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18271449
[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2112676
methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55439968
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 60574382
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid (CID 119223860) is 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid?
The InChIKey is CJTKUZXWWBWBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-2-14(16(20)21)18-15(19)11-5-7-13(8-6-11)25(22,23)17-10-12-4-3-9-24-12/h3-9,14,17H,2,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid?
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid has a molecular weight of 366.40 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 119223860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).