[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

C24H23NO7S — CID 55467166

IUPAC[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO7S/c1-2-6-22(27)25-19-11-9-17(10-12-19)21(26)15-32-24(28)23-18(13-14-31-23)16-33(29,30)20-7-4-3-5-8-20/h3-5,7-14H,2,6,15-16H2,1H3,(H,25,27)
InChIKeyUCFKHGDDQQVNRN-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.03
Rot. Bonds10

About [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (PubChem CID 55467166) has the molecular formula C24H23NO7S and a molecular weight of 469.52 g/mol. Its IUPAC name is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
PubChem CID55467166
Molecular FormulaC24H23NO7S
Molecular Weight469.52 g/mol
Exact Mass469.12
IUPAC Name[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCCCC(=O)Nc1ccc(C(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23NO7S/c1-2-6-22(27)25-19-11-9-17(10-12-19)21(26)15-32-24(28)23-18(13-14-31-23)16-33(29,30)20-7-4-3-5-8-20/h3-5,7-14H,2,6,15-16H2,1H3,(H,25,27)
InChIKeyUCFKHGDDQQVNRN-UHFFFAOYSA-N
XLogP4.03
TPSA119.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate with MolForge

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Related Compounds

ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466131
3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46426168
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7560345
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16556449
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466987
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7433080

Frequently Asked Questions

What is the IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The IUPAC name of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (CID 55467166) is [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is CCCC(=O)Nc1ccc(C(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The InChIKey is UCFKHGDDQQVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO7S/c1-2-6-22(27)25-19-11-9-17(10-12-19)21(26)15-32-24(28)23-18(13-14-31-23)16-33(29,30)20-7-4-3-5-8-20/h3-5,7-14H,2,6,15-16H2,1H3,(H,25,27).
What are the key properties of [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate has a molecular weight of 469.52 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55467166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).