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

C15H12BrN3O4S2 — CID 10503334

IUPAC3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Br
InChIInChI=1S/C15H12BrN3O4S2/c1-9-12(16)15(23-18-9)19-25(21,22)11-7-8-24-13(11)14(20)17-10-5-3-2-4-6-10/h2-8,19H,1H3,(H,17,20)
InChIKeyMEXIZICSHQFANT-UHFFFAOYSA-N
MW442.32 g/mol
LogP3.86
Rot. Bonds5

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

3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide (PubChem CID 10503334) has the molecular formula C15H12BrN3O4S2 and a molecular weight of 442.32 g/mol. Its IUPAC name is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide
PubChem CID10503334
Molecular FormulaC15H12BrN3O4S2
Molecular Weight442.32 g/mol
Exact Mass440.95
IUPAC Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Br
InChIInChI=1S/C15H12BrN3O4S2/c1-9-12(16)15(23-18-9)19-25(21,22)11-7-8-24-13(11)14(20)17-10-5-3-2-4-6-10/h2-8,19H,1H3,(H,17,20)
InChIKeyMEXIZICSHQFANT-UHFFFAOYSA-N
XLogP3.86
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 53.86
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-phenylthiophene-2-carboxamide?
The IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide (CID 10503334) is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide is Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Br.
What is the InChIKey of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is MEXIZICSHQFANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O4S2/c1-9-12(16)15(23-18-9)19-25(21,22)11-7-8-24-13(11)14(20)17-10-5-3-2-4-6-10/h2-8,19H,1H3,(H,17,20).
What are the key properties of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide?
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 3.86, 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-phenylthiophene-2-carboxamide is sourced from PubChem (CID 10503334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).