[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate

C18H20N2O6S — CID 7833590

IUPAC[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
SMILESC[C@H](OC(=O)[C@@H](C)Oc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-12(26-18(22)13(2)25-15-6-4-3-5-7-15)17(21)20-14-8-10-16(11-9-14)27(19,23)24/h3-13H,1-2H3,(H,20,21)(H2,19,23,24)/t12-,13+/m0/s1
InChIKeyQFJIFGGQLLZGMG-QWHCGFSZSA-N
MW392.43 g/mol
LogP1.67
Rot. Bonds7

About [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate

[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate (PubChem CID 7833590) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
PubChem CID7833590
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
SMILESC[C@H](OC(=O)[C@@H](C)Oc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-12(26-18(22)13(2)25-15-6-4-3-5-7-15)17(21)20-14-8-10-16(11-9-14)27(19,23)24/h3-13H,1-2H3,(H,20,21)(H2,19,23,24)/t12-,13+/m0/s1
InChIKeyQFJIFGGQLLZGMG-QWHCGFSZSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-fluorophenoxy)propanoate
CID 42902776
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833485
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791202
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate
CID 16504393
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-bromobenzoate
CID 16539796
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-phenylcyclopentane-1-carboxylate
CID 9440930

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate?
The IUPAC name of [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate (CID 7833590) is [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate.
What is the SMILES notation for [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate?
The canonical SMILES for [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate is C[C@H](OC(=O)[C@@H](C)Oc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate?
The InChIKey is QFJIFGGQLLZGMG-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-12(26-18(22)13(2)25-15-6-4-3-5-7-15)17(21)20-14-8-10-16(11-9-14)27(19,23)24/h3-13H,1-2H3,(H,20,21)(H2,19,23,24)/t12-,13+/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate?
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate has a molecular weight of 392.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate is sourced from PubChem (CID 7833590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).