[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate

C18H19FN2O5S — CID 8657542

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O5S/c1-12-3-4-13(2)16(9-12)27(24,25)20-10-18(23)26-11-17(22)21-15-7-5-14(19)6-8-15/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyQFDGVFSXQYJZDD-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.90
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate

[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate (PubChem CID 8657542) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
PubChem CID8657542
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O5S/c1-12-3-4-13(2)16(9-12)27(24,25)20-10-18(23)26-11-17(22)21-15-7-5-14(19)6-8-15/h3-9,20H,10-11H2,1-2H3,(H,21,22)
InChIKeyQFDGVFSXQYJZDD-UHFFFAOYSA-N
XLogP1.90
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657494
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657514
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570245
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657203
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 41350542
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925331
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
CID 9164619
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetate
CID 18208030
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981523

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate (CID 8657542) is [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate is Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is QFDGVFSXQYJZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-12-3-4-13(2)16(9-12)27(24,25)20-10-18(23)26-11-17(22)21-15-7-5-14(19)6-8-15/h3-9,20H,10-11H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 394.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 8657542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).