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

C16H14BrN3O4S2 — CID 10575755

IUPAC3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C16H14BrN3O4S2/c1-9-5-3-4-6-11(9)18-15(21)14-12(7-8-25-14)26(22,23)20-16-13(17)10(2)19-24-16/h3-8,20H,1-2H3,(H,18,21)
InChIKeyXJFPFBBCTYGHMH-UHFFFAOYSA-N
MW456.34 g/mol
LogP4.17
Rot. Bonds5

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

3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide (PubChem CID 10575755) has the molecular formula C16H14BrN3O4S2 and a molecular weight of 456.34 g/mol. Its IUPAC name is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
PubChem CID10575755
Molecular FormulaC16H14BrN3O4S2
Molecular Weight456.34 g/mol
Exact Mass454.96
IUPAC Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C16H14BrN3O4S2/c1-9-5-3-4-6-11(9)18-15(21)14-12(7-8-25-14)26(22,23)20-16-13(17)10(2)19-24-16/h3-8,20H,1-2H3,(H,18,21)
InChIKeyXJFPFBBCTYGHMH-UHFFFAOYSA-N
XLogP4.17
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide (CID 10575755) is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide is Cc1ccccc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Br.
What is the InChIKey of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is XJFPFBBCTYGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O4S2/c1-9-5-3-4-6-11(9)18-15(21)14-12(7-8-25-14)26(22,23)20-16-13(17)10(2)19-24-16/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-(2-methylphenyl)thiophene-2-carboxamide?
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10575755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).