[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate

C22H25ClN2O7S — CID 42966393

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H25ClN2O7S/c1-15-12-17(23)6-7-20(15)32-16(2)22(27)31-14-21(26)24-18-4-3-5-19(13-18)33(28,29)25-8-10-30-11-9-25/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,26)
InChIKeyNGJNBZWMMPHZRP-UHFFFAOYSA-N
MW496.97 g/mol
LogP2.62
Rot. Bonds8

About [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate (PubChem CID 42966393) has the molecular formula C22H25ClN2O7S and a molecular weight of 496.97 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
PubChem CID42966393
Molecular FormulaC22H25ClN2O7S
Molecular Weight496.97 g/mol
Exact Mass496.11
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
SMILESCc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H25ClN2O7S/c1-15-12-17(23)6-7-20(15)32-16(2)22(27)31-14-21(26)24-18-4-3-5-19(13-18)33(28,29)25-8-10-30-11-9-25/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,26)
InChIKeyNGJNBZWMMPHZRP-UHFFFAOYSA-N
XLogP2.62
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 98388003
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 4853968
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313533
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 55315344
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 4837621
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 55314726
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 4854297
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate (CID 42966393) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate is Cc1cc(Cl)ccc1OC(C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
The InChIKey is NGJNBZWMMPHZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O7S/c1-15-12-17(23)6-7-20(15)32-16(2)22(27)31-14-21(26)24-18-4-3-5-19(13-18)33(28,29)25-8-10-30-11-9-25/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,24,26).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate has a molecular weight of 496.97 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate is sourced from PubChem (CID 42966393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).