[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C23H23N3O5S — CID 33067827

IUPAC[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OCC(=O)NC(=O)Nc3cccc(C)c3C)cc2)cs1
InChIInChI=1S/C23H23N3O5S/c1-14-5-4-6-20(15(14)2)25-23(29)26-21(27)12-31-22(28)17-7-9-19(10-8-17)30-11-18-13-32-16(3)24-18/h4-10,13H,11-12H2,1-3H3,(H2,25,26,27,29)
InChIKeyAETKEQBYGSFXJF-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.15
Rot. Bonds7

About [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 33067827) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID33067827
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OCC(=O)NC(=O)Nc3cccc(C)c3C)cc2)cs1
InChIInChI=1S/C23H23N3O5S/c1-14-5-4-6-20(15(14)2)25-23(29)26-21(27)12-31-22(28)17-7-9-19(10-8-17)30-11-18-13-32-16(3)24-18/h4-10,13H,11-12H2,1-3H3,(H2,25,26,27,29)
InChIKeyAETKEQBYGSFXJF-UHFFFAOYSA-N
XLogP4.15
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46608843
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40721484
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methoxybenzoate
CID 40762758
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 27249289
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 7862075
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 31805685
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 9380501
[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 39868886
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 9477812
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27013138
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46611968
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 27213210

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (CID 33067827) is [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is Cc1nc(COc2ccc(C(=O)OCC(=O)NC(=O)Nc3cccc(C)c3C)cc2)cs1.
What is the InChIKey of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is AETKEQBYGSFXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-14-5-4-6-20(15(14)2)25-23(29)26-21(27)12-31-22(28)17-7-9-19(10-8-17)30-11-18-13-32-16(3)24-18/h4-10,13H,11-12H2,1-3H3,(H2,25,26,27,29).
What are the key properties of [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 453.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 33067827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).