5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide

C16H19BrN2O4S — CID 39695571

IUPAC5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2coc(Br)c2)cc1
InChIInChI=1S/C16H19BrN2O4S/c1-11(2)19-24(21,22)10-13-5-3-12(4-6-13)8-18-16(20)14-7-15(17)23-9-14/h3-7,9,11,19H,8,10H2,1-2H3,(H,18,20)
InChIKeyMGVNJBKTGQNHEU-UHFFFAOYSA-N
MW415.31 g/mol
LogP2.80
Rot. Bonds7

About 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide

5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 39695571) has the molecular formula C16H19BrN2O4S and a molecular weight of 415.31 g/mol. Its IUPAC name is 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide
PubChem CID39695571
Molecular FormulaC16H19BrN2O4S
Molecular Weight415.31 g/mol
Exact Mass414.02
IUPAC Name5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2coc(Br)c2)cc1
InChIInChI=1S/C16H19BrN2O4S/c1-11(2)19-24(21,22)10-13-5-3-12(4-6-13)8-18-16(20)14-7-15(17)23-9-14/h3-7,9,11,19H,8,10H2,1-2H3,(H,18,20)
InChIKeyMGVNJBKTGQNHEU-UHFFFAOYSA-N
XLogP2.80
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
3-(2,2-dimethylpropanoylamino)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 30545357
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24625349
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
4-(cyclopropylamino)-3-nitro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 24563433
2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 52541663
N-[[4-(bromomethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233651
3-[(5-bromofuran-3-carbonyl)amino]-2-methylpropanoic acid
CID 115731390
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 36607696
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 55910283
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide (CID 39695571) is 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2coc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is MGVNJBKTGQNHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O4S/c1-11(2)19-24(21,22)10-13-5-3-12(4-6-13)8-18-16(20)14-7-15(17)23-9-14/h3-7,9,11,19H,8,10H2,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide?
5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 415.31 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 39695571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).