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

C17H16BrN3O4S2 — CID 10504542

IUPAC3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Br)cc1
InChIInChI=1S/C17H16BrN3O4S2/c1-3-11-4-6-12(7-5-11)19-16(22)15-13(8-9-26-15)27(23,24)21-17-14(18)10(2)20-25-17/h4-9,21H,3H2,1-2H3,(H,19,22)
InChIKeyKVRTURHINFWHJV-UHFFFAOYSA-N
MW470.37 g/mol
LogP4.42
Rot. Bonds6

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

3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide (PubChem CID 10504542) has the molecular formula C17H16BrN3O4S2 and a molecular weight of 470.37 g/mol. Its IUPAC name is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide
PubChem CID10504542
Molecular FormulaC17H16BrN3O4S2
Molecular Weight470.37 g/mol
Exact Mass468.98
IUPAC Name3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Br)cc1
InChIInChI=1S/C17H16BrN3O4S2/c1-3-11-4-6-12(7-5-11)19-16(22)15-13(8-9-26-15)27(23,24)21-17-14(18)10(2)20-25-17/h4-9,21H,3H2,1-2H3,(H,19,22)
InChIKeyKVRTURHINFWHJV-UHFFFAOYSA-N
XLogP4.42
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 54.42
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-(4-ethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide (CID 10504542) is 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide is CCc1ccc(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-ethylphenyl)thiophene-2-carboxamide?
The InChIKey is KVRTURHINFWHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4S2/c1-3-11-4-6-12(7-5-11)19-16(22)15-13(8-9-26-15)27(23,24)21-17-14(18)10(2)20-25-17/h4-9,21H,3H2,1-2H3,(H,19,22).
What are the key properties of 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide?
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-ethylphenyl)thiophene-2-carboxamide has a molecular weight of 470.37 g/mol, XLogP of 4.42, 6 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-(4-ethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10504542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).