[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate

C18H20N2O6S — CID 55366679

IUPAC[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
SMILESCc1ccc(NC(=O)COC(=O)C(C)Oc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H20N2O6S/c1-12-8-9-14(10-16(12)27(19,23)24)20-17(21)11-25-18(22)13(2)26-15-6-4-3-5-7-15/h3-10,13H,11H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyUDORROKOVUTKDV-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.59
Rot. Bonds7

About [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate (PubChem CID 55366679) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate.

Molecular Properties

Compound Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
PubChem CID55366679
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
SMILESCc1ccc(NC(=O)COC(=O)C(C)Oc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H20N2O6S/c1-12-8-9-14(10-16(12)27(19,23)24)20-17(21)11-25-18(22)13(2)26-15-6-4-3-5-7-15/h3-10,13H,11H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyUDORROKOVUTKDV-UHFFFAOYSA-N
XLogP1.59
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55365933
[2-(3-methoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833680
dimethyl 5-[[2-(2-phenoxypropanoyloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 55315340
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833735
ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate
CID 8791486
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833731
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
CID 46509920
[2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8865196
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 7833514
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833499
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 55462780
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate?
The IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate (CID 55366679) is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate.
What is the SMILES notation for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate?
The canonical SMILES for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate is Cc1ccc(NC(=O)COC(=O)C(C)Oc2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate?
The InChIKey is UDORROKOVUTKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-12-8-9-14(10-16(12)27(19,23)24)20-17(21)11-25-18(22)13(2)26-15-6-4-3-5-7-15/h3-10,13H,11H2,1-2H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate?
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate has a molecular weight of 392.43 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate is sourced from PubChem (CID 55366679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).