[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate

C19H20N2O6S — CID 3590788

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N2O6S/c22-18(14-27-19(23)15-5-2-1-3-6-15)20-16-7-4-8-17(13-16)28(24,25)21-9-11-26-12-10-21/h1-8,13H,9-12,14H2,(H,20,22)
InChIKeyZIWLTTSYOOKBSS-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.50
Rot. Bonds6

About [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate (PubChem CID 3590788) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate
PubChem CID3590788
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N2O6S/c22-18(14-27-19(23)15-5-2-1-3-6-15)20-16-7-4-8-17(13-16)28(24,25)21-9-11-26-12-10-21/h1-8,13H,9-12,14H2,(H,20,22)
InChIKeyZIWLTTSYOOKBSS-UHFFFAOYSA-N
XLogP1.50
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2346486
[2-(Benzylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2363961
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 5213203
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 16287066
Ethyl 4-({N-[(4-methylphenyl)methyl]4-acetamidobenzenesulfonamido}methyl)benzoate
CID 4182816
Methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate
CID 24854952
Benzyl 4-[3-(prop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
CID 52939517
3-[4-(4-Methyl-piperazine-1-sulfonyl)-benzoylamino]-benzoic acid methyl ester
CID 655078
3-[4-Methyl-3-(morpholine-4-sulfonyl)-benzoylamino]-benzoic acid
CID 1081904
Ethyl 3-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate
CID 1346476
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate
CID 2093655

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate (CID 3590788) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate?
The InChIKey is ZIWLTTSYOOKBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-18(14-27-19(23)15-5-2-1-3-6-15)20-16-7-4-8-17(13-16)28(24,25)21-9-11-26-12-10-21/h1-8,13H,9-12,14H2,(H,20,22).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate has a molecular weight of 404.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzoate is sourced from PubChem (CID 3590788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).