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

C16H14BrN3O4S2 — CID 10766198

IUPACN-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccccc2)c1Br
InChIInChI=1S/C16H14BrN3O4S2/c1-10-13(17)16(24-19-10)20-26(22,23)12-7-8-25-14(12)15(21)18-9-11-5-3-2-4-6-11/h2-8,20H,9H2,1H3,(H,18,21)
InChIKeyYERLCYSKOWRFNL-UHFFFAOYSA-N
MW456.34 g/mol
LogP3.54
Rot. Bonds6

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

N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 10766198) has the molecular formula C16H14BrN3O4S2 and a molecular weight of 456.34 g/mol. Its IUPAC name is N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
PubChem CID10766198
Molecular FormulaC16H14BrN3O4S2
Molecular Weight456.34 g/mol
Exact Mass454.96
IUPAC NameN-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccccc2)c1Br
InChIInChI=1S/C16H14BrN3O4S2/c1-10-13(17)16(24-19-10)20-26(22,23)12-7-8-25-14(12)15(21)18-9-11-5-3-2-4-6-11/h2-8,20H,9H2,1H3,(H,18,21)
InChIKeyYERLCYSKOWRFNL-UHFFFAOYSA-N
XLogP3.54
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide (CID 10766198) is N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is Cc1noc(NS(=O)(=O)c2ccsc2C(=O)NCc2ccccc2)c1Br.
What is the InChIKey of N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is YERLCYSKOWRFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O4S2/c1-10-13(17)16(24-19-10)20-26(22,23)12-7-8-25-14(12)15(21)18-9-11-5-3-2-4-6-11/h2-8,20H,9H2,1H3,(H,18,21).
What are the key properties of N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide?
N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 10766198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).