methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

C16H14N2O6S2 — CID 46341364

IUPACmethyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3cccc(OC)c3)s2)on1
InChIInChI=1S/C16H14N2O6S2/c1-22-11-5-3-4-10(8-11)18-26(20,21)15-7-6-14(25-15)13-9-12(17-24-13)16(19)23-2/h3-9,18H,1-2H3
InChIKeyPFWZQXKPXDJAAV-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.00
Rot. Bonds6

About methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 46341364) has the molecular formula C16H14N2O6S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID46341364
Molecular FormulaC16H14N2O6S2
Molecular Weight394.43 g/mol
Exact Mass394.03
IUPAC Namemethyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3cccc(OC)c3)s2)on1
InChIInChI=1S/C16H14N2O6S2/c1-22-11-5-3-4-10(8-11)18-26(20,21)15-7-6-14(25-15)13-9-12(17-24-13)16(19)23-2/h3-9,18H,1-2H3
InChIKeyPFWZQXKPXDJAAV-UHFFFAOYSA-N
XLogP3.00
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341377
methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341372
ethyl 3-[[5-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 20936192
ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950037
methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950124
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53068113
ethyl 5-[5-[[(2S)-2-phenylpropyl]sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 92708484
5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987490
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
N-(3-methoxyphenyl)-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonamide
CID 22583251
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 46341364) is methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3cccc(OC)c3)s2)on1.
What is the InChIKey of methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is PFWZQXKPXDJAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S2/c1-22-11-5-3-4-10(8-11)18-26(20,21)15-7-6-14(25-15)13-9-12(17-24-13)16(19)23-2/h3-9,18H,1-2H3.
What are the key properties of methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 46341364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).