[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

C20H21BrN2O7S — CID 23855200

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21BrN2O7S/c21-15-1-5-17(6-2-15)29-14-20(25)30-13-19(24)22-16-3-7-18(8-4-16)31(26,27)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,22,24)
InChIKeyURFHVLFTERYJFL-UHFFFAOYSA-N
MW513.37 g/mol
LogP2.03
Rot. Bonds8

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (PubChem CID 23855200) has the molecular formula C20H21BrN2O7S and a molecular weight of 513.37 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
PubChem CID23855200
Molecular FormulaC20H21BrN2O7S
Molecular Weight513.37 g/mol
Exact Mass512.03
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21BrN2O7S/c21-15-1-5-17(6-2-15)29-14-20(25)30-13-19(24)22-16-3-7-18(8-4-16)31(26,27)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,22,24)
InChIKeyURFHVLFTERYJFL-UHFFFAOYSA-N
XLogP2.03
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 29142216
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 23961972
[2-(4-bromoanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346749
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
N-(4-methyl-3-sulfamoylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30835139
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 4002541
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17310285
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate (CID 23855200) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is O=C(COC(=O)COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
The InChIKey is URFHVLFTERYJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O7S/c21-15-1-5-17(6-2-15)29-14-20(25)30-13-19(24)22-16-3-7-18(8-4-16)31(26,27)23-9-11-28-12-10-23/h1-8H,9-14H2,(H,22,24).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate has a molecular weight of 513.37 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate is sourced from PubChem (CID 23855200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).