[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C18H19FN2O5S — CID 2110230

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O5S/c1-13-2-8-16(9-3-13)27(24,25)21-11-18(23)26-12-17(22)20-10-14-4-6-15(19)7-5-14/h2-9,21H,10-12H2,1H3,(H,20,22)
InChIKeyWKTUWGAVNVWKLD-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.27
Rot. Bonds8

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2110230) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2110230
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O5S/c1-13-2-8-16(9-3-13)27(24,25)21-11-18(23)26-12-17(22)20-10-14-4-6-15(19)7-5-14/h2-9,21H,10-12H2,1H3,(H,20,22)
InChIKeyWKTUWGAVNVWKLD-UHFFFAOYSA-N
XLogP1.27
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
16-(Toluene-4-sulfonyl)-1,7,13-trioxa-4,10,16-triaza-cyclooctadecane-3,11-dione
CID 654766
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 798105
Methyl 4-(4-morpholinylsulfonyl)benzylcarbamate
CID 847855
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N~2~-(2-fluorobenzyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~1~-propylglycinamide
CID 2188946
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2387529
[2-(Benzhydrylamino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2419462
(E)-N-[(4-methylphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2671758
[2-(Benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate
CID 2999757
2-(Benzenesulfonyl-benzyl-amino)-N-(3-methoxy-propyl)-acetamide
CID 3114017

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2110230) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is WKTUWGAVNVWKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-13-2-8-16(9-3-13)27(24,25)21-11-18(23)26-12-17(22)20-10-14-4-6-15(19)7-5-14/h2-9,21H,10-12H2,1H3,(H,20,22).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 394.42 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2110230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).