ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate

C17H23N3O6S2 — CID 20950045

IUPACethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCCN3CCOCC3)s2)on1
InChIInChI=1S/C17H23N3O6S2/c1-2-25-17(21)13-12-14(26-19-13)15-4-5-16(27-15)28(22,23)18-6-3-7-20-8-10-24-11-9-20/h4-5,12,18H,2-3,6-11H2,1H3
InChIKeyRBOZPSLUTCBLSS-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.58
Rot. Bonds9

About ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 20950045) has the molecular formula C17H23N3O6S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID20950045
Molecular FormulaC17H23N3O6S2
Molecular Weight429.52 g/mol
Exact Mass429.10
IUPAC Nameethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCCN3CCOCC3)s2)on1
InChIInChI=1S/C17H23N3O6S2/c1-2-25-17(21)13-12-14(26-19-13)15-4-5-16(27-15)28(22,23)18-6-3-7-20-8-10-24-11-9-20/h4-5,12,18H,2-3,6-11H2,1H3
InChIKeyRBOZPSLUTCBLSS-UHFFFAOYSA-N
XLogP1.58
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950118
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 92708484
ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950037
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 20947489
ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 87441731
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 11705027
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
4-ethoxy-2,3-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 16644712
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide;hydrochloride
CID 21091850

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 20950045) is ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCCCN3CCOCC3)s2)on1.
What is the InChIKey of ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is RBOZPSLUTCBLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S2/c1-2-25-17(21)13-12-14(26-19-13)15-4-5-16(27-15)28(22,23)18-6-3-7-20-8-10-24-11-9-20/h4-5,12,18H,2-3,6-11H2,1H3.
What are the key properties of ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 429.52 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 20950045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).