3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide

C16H14BrN3O5S2 — CID 10576379

IUPAC3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Br)cc1
InChIInChI=1S/C16H14BrN3O5S2/c1-9-13(17)16(25-19-9)20-27(22,23)12-7-8-26-14(12)15(21)18-10-3-5-11(24-2)6-4-10/h3-8,20H,1-2H3,(H,18,21)
InChIKeyGQNVKBUSESBTBX-UHFFFAOYSA-N
MW472.34 g/mol
LogP3.87
Rot. Bonds6

About 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide

3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 10576379) has the molecular formula C16H14BrN3O5S2 and a molecular weight of 472.34 g/mol. Its IUPAC name is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID10576379
Molecular FormulaC16H14BrN3O5S2
Molecular Weight472.34 g/mol
Exact Mass470.96
IUPAC Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Br)cc1
InChIInChI=1S/C16H14BrN3O5S2/c1-9-13(17)16(25-19-9)20-27(22,23)12-7-8-26-14(12)15(21)18-10-3-5-11(24-2)6-4-10/h3-8,20H,1-2H3,(H,18,21)
InChIKeyGQNVKBUSESBTBX-UHFFFAOYSA-N
XLogP3.87
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide (CID 10576379) is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Br)cc1.
What is the InChIKey of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is GQNVKBUSESBTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O5S2/c1-9-13(17)16(25-19-9)20-27(22,23)12-7-8-26-14(12)15(21)18-10-3-5-11(24-2)6-4-10/h3-8,20H,1-2H3,(H,18,21).
What are the key properties of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide?
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 472.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10576379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).