[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate

C19H21FN2O5S — CID 7961607

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O5S/c1-3-14-7-4-6-13(2)19(14)22-17(23)12-27-18(24)11-21-28(25,26)16-9-5-8-15(20)10-16/h4-10,21H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyXQVPDRNYRASQQD-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.16
Rot. Bonds8

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (PubChem CID 7961607) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
PubChem CID7961607
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O5S/c1-3-14-7-4-6-13(2)19(14)22-17(23)12-27-18(24)11-21-28(25,26)16-9-5-8-15(20)10-16/h4-10,21H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyXQVPDRNYRASQQD-UHFFFAOYSA-N
XLogP2.16
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961710
[2-(2,6-diethylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596410
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961583
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961701
N-(2-ethyl-6-methylphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112997050
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 9437557
[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270127
N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 112997342
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570278

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (CID 7961607) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is CCc1cccc(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The InChIKey is XQVPDRNYRASQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-3-14-7-4-6-13(2)19(14)22-17(23)12-27-18(24)11-21-28(25,26)16-9-5-8-15(20)10-16/h4-10,21H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate has a molecular weight of 408.45 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7961607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).