[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

C23H23NO7S — CID 55466131

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO7S/c1-29-19-9-7-17(8-10-19)11-13-24-21(25)15-31-23(26)22-18(12-14-30-22)16-32(27,28)20-5-3-2-4-6-20/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,25)
InChIKeySYLAWDKNPDYMEL-UHFFFAOYSA-N
MW457.50 g/mol
LogP2.78
Rot. Bonds10

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (PubChem CID 55466131) has the molecular formula C23H23NO7S and a molecular weight of 457.50 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
PubChem CID55466131
Molecular FormulaC23H23NO7S
Molecular Weight457.50 g/mol
Exact Mass457.12
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO7S/c1-29-19-9-7-17(8-10-19)11-13-24-21(25)15-31-23(26)22-18(12-14-30-22)16-32(27,28)20-5-3-2-4-6-20/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,25)
InChIKeySYLAWDKNPDYMEL-UHFFFAOYSA-N
XLogP2.78
TPSA111.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51283662
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927410
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 46664518
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607642
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30400735
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791419
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2423206
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate (CID 55466131) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is COc1ccc(CCNC(=O)COC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
The InChIKey is SYLAWDKNPDYMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7S/c1-29-19-9-7-17(8-10-19)11-13-24-21(25)15-31-23(26)22-18(12-14-30-22)16-32(27,28)20-5-3-2-4-6-20/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,25).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate has a molecular weight of 457.50 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55466131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).