ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

C17H15ClN2O5S2 — CID 20950037

IUPACethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)s2)on1
InChIInChI=1S/C17H15ClN2O5S2/c1-3-24-17(21)13-9-14(25-19-13)15-6-7-16(26-15)27(22,23)20-11-5-4-10(2)12(18)8-11/h4-9,20H,3H2,1-2H3
InChIKeyURKVMEATXVXPIF-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.34
Rot. Bonds6

About ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 20950037) has the molecular formula C17H15ClN2O5S2 and a molecular weight of 426.90 g/mol. Its IUPAC name is ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID20950037
Molecular FormulaC17H15ClN2O5S2
Molecular Weight426.90 g/mol
Exact Mass426.01
IUPAC Nameethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)s2)on1
InChIInChI=1S/C17H15ClN2O5S2/c1-3-24-17(21)13-9-14(25-19-13)15-6-7-16(26-15)27(22,23)20-11-5-4-10(2)12(18)8-11/h4-9,20H,3H2,1-2H3
InChIKeyURKVMEATXVXPIF-UHFFFAOYSA-N
XLogP4.34
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 92708484
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950045
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341377
ethyl 5-[5-[3-(furan-2-yl)propylsulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950118
methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341364
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
ethyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 8721611
N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085828
methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341372

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 20950037) is ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)s2)on1.
What is the InChIKey of ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is URKVMEATXVXPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5S2/c1-3-24-17(21)13-9-14(25-19-13)15-6-7-16(26-15)27(22,23)20-11-5-4-10(2)12(18)8-11/h4-9,20H,3H2,1-2H3.
What are the key properties of ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 426.90 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 20950037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).