[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

C22H20ClN3O6S2 — CID 2388559

IUPAC[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C22H20ClN3O6S2/c23-18-7-2-1-6-17(18)19-14-33-22(24-19)25-20(27)13-32-21(28)15-4-3-5-16(12-15)34(29,30)26-8-10-31-11-9-26/h1-7,12,14H,8-11,13H2,(H,24,25,27)
InChIKeyAPUMQUSQPPHSKN-UHFFFAOYSA-N
MW522.00 g/mol
LogP3.28
Rot. Bonds7

About [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate

[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2388559) has the molecular formula C22H20ClN3O6S2 and a molecular weight of 522.00 g/mol. Its IUPAC name is [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID2388559
Molecular FormulaC22H20ClN3O6S2
Molecular Weight522.00 g/mol
Exact Mass521.05
IUPAC Name[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C22H20ClN3O6S2/c23-18-7-2-1-6-17(18)19-14-33-22(24-19)25-20(27)13-32-21(28)15-4-3-5-16(12-15)34(29,30)26-8-10-31-11-9-26/h1-7,12,14H,8-11,13H2,(H,24,25,27)
InChIKeyAPUMQUSQPPHSKN-UHFFFAOYSA-N
XLogP3.28
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.00
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

[2-[[4-(4-Methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2388844
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2404140
(2-Anilino-1,3-thiazol-4-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 2642158
Smssf-0625334
CID 5234031
[2-[[4-(4-Methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 7825911
[1-Oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-(difluoromethylsulfonyl)benzoate
CID 16513259
[2-[[4-(2,5-Difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 16513262
(2-Anilino-1,3-thiazol-4-yl)methyl 2-chloro-5-sulfamoylbenzoate
CID 17409263
[2-[[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 2340997
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloro-4-fluorobenzoate
CID 2341009
[2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2389540
[2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2389755

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 2388559) is [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is APUMQUSQPPHSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O6S2/c23-18-7-2-1-6-17(18)19-14-33-22(24-19)25-20(27)13-32-21(28)15-4-3-5-16(12-15)34(29,30)26-8-10-31-11-9-26/h1-7,12,14H,8-11,13H2,(H,24,25,27).
What are the key properties of [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 522.00 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2388559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).