[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate

C19H24N2O6S — CID 7976486

IUPAC[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCCC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H24N2O6S/c1-3-6-14(2)21-18(22)13-27-19(23)15-7-4-9-17(11-15)28(24,25)20-12-16-8-5-10-26-16/h4-5,7-11,14,20H,3,6,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyGSUKZPYAQQKMNL-CQSZACIVSA-N
MW408.48 g/mol
LogP2.22
Rot. Bonds10

About [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 7976486) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID7976486
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCCC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H24N2O6S/c1-3-6-14(2)21-18(22)13-27-19(23)15-7-4-9-17(11-15)28(24,25)20-12-16-8-5-10-26-16/h4-5,7-11,14,20H,3,6,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyGSUKZPYAQQKMNL-CQSZACIVSA-N
XLogP2.22
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate 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

[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 42987157
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
CID 42900495
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 55312971
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247756
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247757
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
(3-chlorophenyl)methyl 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 41195143
3-(furan-2-ylmethylsulfamoyl)-N,N-dipropylbenzamide
CID 109064446
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976489

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate (CID 7976486) is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate is CCC[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is GSUKZPYAQQKMNL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-3-6-14(2)21-18(22)13-27-19(23)15-7-4-9-17(11-15)28(24,25)20-12-16-8-5-10-26-16/h4-5,7-11,14,20H,3,6,12-13H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate?
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 408.48 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 7976486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).