N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide

C16H14BrN3O4S2 — CID 18617292

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide
SMILESCc1noc(NC(=O)Cc2ccccc2-c2sccc2S(N)(=O)=O)c1Br
InChIInChI=1S/C16H14BrN3O4S2/c1-9-14(17)16(24-20-9)19-13(21)8-10-4-2-3-5-11(10)15-12(6-7-25-15)26(18,22)23/h2-7H,8H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyWVZIGZQTFNRBKJ-UHFFFAOYSA-N
MW456.34 g/mol
LogP3.30
Rot. Bonds5

About N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide (PubChem CID 18617292) has the molecular formula C16H14BrN3O4S2 and a molecular weight of 456.34 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide
PubChem CID18617292
Molecular FormulaC16H14BrN3O4S2
Molecular Weight456.34 g/mol
Exact Mass454.96
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide
SMILESCc1noc(NC(=O)Cc2ccccc2-c2sccc2S(N)(=O)=O)c1Br
InChIInChI=1S/C16H14BrN3O4S2/c1-9-14(17)16(24-20-9)19-13(21)8-10-4-2-3-5-11(10)15-12(6-7-25-15)26(18,22)23/h2-7H,8H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyWVZIGZQTFNRBKJ-UHFFFAOYSA-N
XLogP3.30
TPSA115.29 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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide (CID 18617292) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide is Cc1noc(NC(=O)Cc2ccccc2-c2sccc2S(N)(=O)=O)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide?
The InChIKey is WVZIGZQTFNRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O4S2/c1-9-14(17)16(24-20-9)19-13(21)8-10-4-2-3-5-11(10)15-12(6-7-25-15)26(18,22)23/h2-7H,8H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide has a molecular weight of 456.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide is sourced from PubChem (CID 18617292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).