[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate

C12H16N2O6S — CID 42970369

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)OC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N2O6S/c1-8(20-11(15)7-19-2)12(16)14-9-3-5-10(6-4-9)21(13,17)18/h3-6,8H,7H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyGUHPLNRAPVZQDH-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.15
Rot. Bonds6

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate (PubChem CID 42970369) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
PubChem CID42970369
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)OC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N2O6S/c1-8(20-11(15)7-19-2)12(16)14-9-3-5-10(6-4-9)21(13,17)18/h3-6,8H,7H2,1-2H3,(H,14,16)(H2,13,17,18)
InChIKeyGUHPLNRAPVZQDH-UHFFFAOYSA-N
XLogP-0.15
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate
CID 7790407
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-methoxyacetate
CID 8018761
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 7776019
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 8922985
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015315
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(methoxymethyl)benzoate
CID 7488811
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate
CID 16504393
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(3-fluorophenoxy)acetate
CID 8914750
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 42918457
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-(4-sulfamoylphenyl)propanoate
CID 46812038
trans-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020391
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate (CID 42970369) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate is COCC(=O)OC(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate?
The InChIKey is GUHPLNRAPVZQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-8(20-11(15)7-19-2)12(16)14-9-3-5-10(6-4-9)21(13,17)18/h3-6,8H,7H2,1-2H3,(H,14,16)(H2,13,17,18).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate has a molecular weight of 316.34 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate is sourced from PubChem (CID 42970369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).