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

C23H23N3O6S2 — CID 2388844

IUPAC[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1
InChIInChI=1S/C23H23N3O6S2/c1-16-5-7-17(8-6-16)20-15-33-23(24-20)25-21(27)14-32-22(28)18-3-2-4-19(13-18)34(29,30)26-9-11-31-12-10-26/h2-8,13,15H,9-12,14H2,1H3,(H,24,25,27)
InChIKeyDZGXFHNFFKANKI-UHFFFAOYSA-N
MW501.59 g/mol
LogP2.93
Rot. Bonds7

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

[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (PubChem CID 2388844) has the molecular formula C23H23N3O6S2 and a molecular weight of 501.59 g/mol. Its IUPAC name is [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
PubChem CID2388844
Molecular FormulaC23H23N3O6S2
Molecular Weight501.59 g/mol
Exact Mass501.10
IUPAC Name[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1
InChIInChI=1S/C23H23N3O6S2/c1-16-5-7-17(8-6-16)20-15-33-23(24-20)25-21(27)14-32-22(28)18-3-2-4-19(13-18)34(29,30)26-9-11-31-12-10-26/h2-8,13,15H,9-12,14H2,1H3,(H,24,25,27)
InChIKeyDZGXFHNFFKANKI-UHFFFAOYSA-N
XLogP2.93
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 980159
2-Methoxy-N-{4-[4-(morpholine-4-sulfonyl)-phenyl]-thiazol-2-yl}-benzamide
CID 979629
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
[2-[[4-(2-Chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2388559
Ethyl 4-phenyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)thiazole-5-carboxylate
CID 3321091
Methyl 4-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 5130063
Methyl 4-(2-(5,6-dihydro-1,4-dioxine-2-carboxamido)thiazol-4-yl)benzoate
CID 4103238
Ethyl 4-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 2334129
Ethyl 2-[2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2334564
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2404140
ethyl 2-(4-(N,N-dipropylsulfamoyl)benzamido)-4-phenylthiazole-5-carboxylate
CID 3872651
Ethyl 2-(4-(morpholinosulfonyl)benzamido)-4-phenylthiazole-5-carboxylate
CID 4277078

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate (CID 2388844) is [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1.
What is the InChIKey of [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is DZGXFHNFFKANKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S2/c1-16-5-7-17(8-6-16)20-15-33-23(24-20)25-21(27)14-32-22(28)18-3-2-4-19(13-18)34(29,30)26-9-11-31-12-10-26/h2-8,13,15H,9-12,14H2,1H3,(H,24,25,27).
What are the key properties of [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate?
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 501.59 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2388844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).