5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid

C16H18N2O6S — CID 119245913

IUPAC5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H18N2O6S/c1-10(2)18-25(22,23)13-5-3-4-11(8-13)15(19)17-9-12-6-7-14(24-12)16(20)21/h3-8,10,18H,9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAXPQDJVFOVRHMI-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.59
Rot. Bonds7

About 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid

5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 119245913) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
PubChem CID119245913
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Name5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C16H18N2O6S/c1-10(2)18-25(22,23)13-5-3-4-11(8-13)15(19)17-9-12-6-7-14(24-12)16(20)21/h3-8,10,18H,9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyAXPQDJVFOVRHMI-UHFFFAOYSA-N
XLogP1.59
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 47864349
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 33107845
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid (CID 119245913) is 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid is CC(C)NS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is AXPQDJVFOVRHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-10(2)18-25(22,23)13-5-3-4-11(8-13)15(19)17-9-12-6-7-14(24-12)16(20)21/h3-8,10,18H,9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid?
5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 366.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(propan-2-ylsulfamoyl)benzoyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).