[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate

C18H20N2O6S — CID 7193300

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O6S/c1-12(2)26-15-8-6-13(7-9-15)18(22)25-11-17(21)20-14-4-3-5-16(10-14)27(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyKNKBDXVYCWAQIA-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.92
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate (PubChem CID 7193300) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate
PubChem CID7193300
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O6S/c1-12(2)26-15-8-6-13(7-9-15)18(22)25-11-17(21)20-14-4-3-5-16(10-14)27(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyKNKBDXVYCWAQIA-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210510
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 4802665
[2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8865196
[2-(3-methylsulfonylanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 9382741
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903326
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-methyl-4-nitrobenzoate
CID 4001820
[2-(3-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612551
[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 42120073
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
CID 5029047
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2662154

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate (CID 7193300) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate?
The InChIKey is KNKBDXVYCWAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-12(2)26-15-8-6-13(7-9-15)18(22)25-11-17(21)20-14-4-3-5-16(10-14)27(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate has a molecular weight of 392.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 7193300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).