[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

C23H23NO6S — CID 55467064

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCC(C)N(C(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO6S/c1-17(2)24(19-9-5-3-6-10-19)21(25)15-30-23(26)22-18(13-14-29-22)16-31(27,28)20-11-7-4-8-12-20/h3-14,17H,15-16H2,1-2H3
InChIKeyDNRGWSNEBDBVKB-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.85
Rot. Bonds8

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (PubChem CID 55467064) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
PubChem CID55467064
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCC(C)N(C(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO6S/c1-17(2)24(19-9-5-3-6-10-19)21(25)15-30-23(26)22-18(13-14-29-22)16-31(27,28)20-11-7-4-8-12-20/h3-14,17H,15-16H2,1-2H3
InChIKeyDNRGWSNEBDBVKB-UHFFFAOYSA-N
XLogP3.85
TPSA93.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate 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

ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 30908299
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466660
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466131
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467166
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46664518
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46426168
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55467341
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466315
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide
CID 46665405

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (CID 55467064) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is CC(C)N(C(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The InChIKey is DNRGWSNEBDBVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6S/c1-17(2)24(19-9-5-3-6-10-19)21(25)15-30-23(26)22-18(13-14-29-22)16-31(27,28)20-11-7-4-8-12-20/h3-14,17H,15-16H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate has a molecular weight of 441.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55467064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).