[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate

C21H26N2O6S — CID 2606423

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C21H26N2O6S/c1-4-28-18-13-9-8-12-17(18)22-19(24)14-29-21(25)20(15(2)3)23-30(26,27)16-10-6-5-7-11-16/h5-13,15,20,23H,4,14H2,1-3H3,(H,22,24)/t20-/m1/s1
InChIKeyKSOLXXLRAHUZFC-HXUWFJFHSA-N
MW434.51 g/mol
LogP2.57
Rot. Bonds10

About [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate

[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate (PubChem CID 2606423) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
PubChem CID2606423
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C21H26N2O6S/c1-4-28-18-13-9-8-12-17(18)22-19(24)14-29-21(25)20(15(2)3)23-30(26,27)16-10-6-5-7-11-16/h5-13,15,20,23H,4,14H2,1-3H3,(H,22,24)/t20-/m1/s1
InChIKeyKSOLXXLRAHUZFC-HXUWFJFHSA-N
XLogP2.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate with MolForge

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606546
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(benzenesulfonamido)-3-methylbutanoate
CID 4543099
[2-(4-methylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606384
[2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606354
(2S)-2-[[4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59483367
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(benzenesulfonamido)-3-methylbutanoate
CID 4687481
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)-3-methylbutanoate
CID 3298855
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(benzenesulfonamido)-3-methylbutanoate
CID 4040197
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606177
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412
[2-(3-cyanoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606426

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate (CID 2606423) is [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate is CCOc1ccccc1NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccccc1)C(C)C.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate?
The InChIKey is KSOLXXLRAHUZFC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-4-28-18-13-9-8-12-17(18)22-19(24)14-29-21(25)20(15(2)3)23-30(26,27)16-10-6-5-7-11-16/h5-13,15,20,23H,4,14H2,1-3H3,(H,22,24)/t20-/m1/s1.
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate?
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate has a molecular weight of 434.51 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate is sourced from PubChem (CID 2606423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).