[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C21H23ClN2O8S — CID 4002541

IUPAC[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O8S/c1-29-15-2-4-16(5-3-15)31-14-21(26)32-13-20(25)23-19-12-17(6-7-18(19)22)33(27,28)24-8-10-30-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)
InChIKeyFKHRRCYJWSPWJD-UHFFFAOYSA-N
MW498.94 g/mol
LogP1.93
Rot. Bonds9

About [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 4002541) has the molecular formula C21H23ClN2O8S and a molecular weight of 498.94 g/mol. Its IUPAC name is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID4002541
Molecular FormulaC21H23ClN2O8S
Molecular Weight498.94 g/mol
Exact Mass498.09
IUPAC Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O8S/c1-29-15-2-4-16(5-3-15)31-14-21(26)32-13-20(25)23-19-12-17(6-7-18(19)22)33(27,28)24-8-10-30-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)
InChIKeyFKHRRCYJWSPWJD-UHFFFAOYSA-N
XLogP1.93
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 6530188
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 25162358
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16534709
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(3-fluorophenoxy)acetamide
CID 42989229
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 23961972
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23855200
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26639783
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 4637199
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] oxane-4-carboxylate
CID 55374926

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 4002541) is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1.
What is the InChIKey of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is FKHRRCYJWSPWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O8S/c1-29-15-2-4-16(5-3-15)31-14-21(26)32-13-20(25)23-19-12-17(6-7-18(19)22)33(27,28)24-8-10-30-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25).
What are the key properties of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 498.94 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 4002541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).