[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C23H22N2O4S — CID 46671765

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OC(C(=O)NC3CC3)c3ccccc3)cc2)cs1
InChIInChI=1S/C23H22N2O4S/c1-15-24-19(14-30-15)13-28-20-11-7-17(8-12-20)23(27)29-21(16-5-3-2-4-6-16)22(26)25-18-9-10-18/h2-8,11-12,14,18,21H,9-10,13H2,1H3,(H,25,26)
InChIKeyLDIUJBXZJSONKY-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.21
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 46671765) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID46671765
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2ccc(C(=O)OC(C(=O)NC3CC3)c3ccccc3)cc2)cs1
InChIInChI=1S/C23H22N2O4S/c1-15-24-19(14-30-15)13-28-20-11-7-17(8-12-20)23(27)29-21(16-5-3-2-4-6-16)22(26)25-18-9-10-18/h2-8,11-12,14,18,21H,9-10,13H2,1H3,(H,25,26)
InChIKeyLDIUJBXZJSONKY-UHFFFAOYSA-N
XLogP4.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46608884
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46608954
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 9063370
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide
CID 9293109
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 43042716
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9273087
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (CID 46671765) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is Cc1nc(COc2ccc(C(=O)OC(C(=O)NC3CC3)c3ccccc3)cc2)cs1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is LDIUJBXZJSONKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-15-24-19(14-30-15)13-28-20-11-7-17(8-12-20)23(27)29-21(16-5-3-2-4-6-16)22(26)25-18-9-10-18/h2-8,11-12,14,18,21H,9-10,13H2,1H3,(H,25,26).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 422.51 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 46671765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).