ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

C19H20N2O5S2 — CID 92708484

IUPACethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)NC[C@@H](C)c3ccccc3)s2)on1
InChIInChI=1S/C19H20N2O5S2/c1-3-25-19(22)15-11-16(26-21-15)17-9-10-18(27-17)28(23,24)20-12-13(2)14-7-5-4-6-8-14/h4-11,13,20H,3,12H2,1-2H3/t13-/m1/s1
InChIKeyRAUZZUBIOPGYPQ-CYBMUJFWSA-N
MW420.51 g/mol
LogP3.66
Rot. Bonds8

About ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 92708484) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID92708484
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Nameethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)NC[C@@H](C)c3ccccc3)s2)on1
InChIInChI=1S/C19H20N2O5S2/c1-3-25-19(22)15-11-16(26-21-15)17-9-10-18(27-17)28(23,24)20-12-13(2)14-7-5-4-6-8-14/h4-11,13,20H,3,12H2,1-2H3/t13-/m1/s1
InChIKeyRAUZZUBIOPGYPQ-CYBMUJFWSA-N
XLogP3.66
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950037
ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950118
ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950045
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341377
methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341371
methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341364
methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950124
ethyl 3,5-dimethyl-4-(2-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 53059285
5-(3-methyl-1,2-oxazol-5-yl)-N-(3-phenylpropyl)thiophene-2-sulfonamide
CID 20936205

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 92708484) is ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NC[C@@H](C)c3ccccc3)s2)on1.
What is the InChIKey of ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is RAUZZUBIOPGYPQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-3-25-19(22)15-11-16(26-21-15)17-9-10-18(27-17)28(23,24)20-12-13(2)14-7-5-4-6-8-14/h4-11,13,20H,3,12H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 92708484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).