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

C19H22N2O6S — CID 7211739

IUPAC[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O6S/c1-3-12-26-16-8-4-14(5-9-16)19(23)27-13(2)18(22)21-15-6-10-17(11-7-15)28(20,24)25/h4-11,13H,3,12H2,1-2H3,(H,21,22)(H2,20,24,25)/t13-/m1/s1
InChIKeyBFWXPUPWJVZTMZ-CYBMUJFWSA-N
MW406.46 g/mol
LogP2.31
Rot. Bonds8

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

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate (PubChem CID 7211739) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
PubChem CID7211739
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O6S/c1-3-12-26-16-8-4-14(5-9-16)19(23)27-13(2)18(22)21-15-6-10-17(11-7-15)28(20,24)25/h4-11,13H,3,12H2,1-2H3,(H,21,22)(H2,20,24,25)/t13-/m1/s1
InChIKeyBFWXPUPWJVZTMZ-CYBMUJFWSA-N
XLogP2.31
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate with MolForge

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Related Compounds

[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 8736375
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211491
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42966115
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211590
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 8979150
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(methoxymethyl)benzoate
CID 7488811
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-methylsulfanylbenzoate
CID 8507698
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751736
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751738
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4938795

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate?
The IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate (CID 7211739) is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate?
The canonical SMILES for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate is CCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate?
The InChIKey is BFWXPUPWJVZTMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-3-12-26-16-8-4-14(5-9-16)19(23)27-13(2)18(22)21-15-6-10-17(11-7-15)28(20,24)25/h4-11,13H,3,12H2,1-2H3,(H,21,22)(H2,20,24,25)/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate?
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate has a molecular weight of 406.46 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate is sourced from PubChem (CID 7211739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).