[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate

C22H24Cl2N2O8S — CID 98388003

IUPAC[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N2O8S/c1-14(34-19-6-3-15(23)11-17(19)24)22(28)33-13-21(27)25-18-5-4-16(12-20(18)31-2)35(29,30)26-7-9-32-10-8-26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,27)/t14-/m0/s1
InChIKeyOSXCFARWBGYVPM-AWEZNQCLSA-N
MW547.41 g/mol
LogP2.97
Rot. Bonds9

About [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate

[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 98388003) has the molecular formula C22H24Cl2N2O8S and a molecular weight of 547.41 g/mol. Its IUPAC name is [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID98388003
Molecular FormulaC22H24Cl2N2O8S
Molecular Weight547.41 g/mol
Exact Mass546.06
IUPAC Name[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H24Cl2N2O8S/c1-14(34-19-6-3-15(23)11-17(19)24)22(28)33-13-21(27)25-18-5-4-16(12-20(18)31-2)35(29,30)26-7-9-32-10-8-26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,27)/t14-/m0/s1
InChIKeyOSXCFARWBGYVPM-AWEZNQCLSA-N
XLogP2.97
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 42966393
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 5142851
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 23933211
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43898486
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2357921
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
(3R)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-pyrazol-1-ylbutanamide
CID 51591703
[2-(2,4-difluoroanilino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872967
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 4854301

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate (CID 98388003) is [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate is COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is OSXCFARWBGYVPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24Cl2N2O8S/c1-14(34-19-6-3-15(23)11-17(19)24)22(28)33-13-21(27)25-18-5-4-16(12-20(18)31-2)35(29,30)26-7-9-32-10-8-26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,27)/t14-/m0/s1.
What are the key properties of [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate?
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 547.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 98388003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).