2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C17H15BrN2O4S — CID 18861075

IUPAC2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2coc3ccc(Br)cc23)cc1
InChIInChI=1S/C17H15BrN2O4S/c18-13-3-6-16-15(8-13)12(10-24-16)7-17(21)20-9-11-1-4-14(5-2-11)25(19,22)23/h1-6,8,10H,7,9H2,(H,20,21)(H2,19,22,23)
InChIKeyLPOQMKUGFRZSKC-UHFFFAOYSA-N
MW423.29 g/mol
LogP2.70
Rot. Bonds5

About 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 18861075) has the molecular formula C17H15BrN2O4S and a molecular weight of 423.29 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID18861075
Molecular FormulaC17H15BrN2O4S
Molecular Weight423.29 g/mol
Exact Mass421.99
IUPAC Name2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2coc3ccc(Br)cc23)cc1
InChIInChI=1S/C17H15BrN2O4S/c18-13-3-6-16-15(8-13)12(10-24-16)7-17(21)20-9-11-1-4-14(5-2-11)25(19,22)23/h1-6,8,10H,7,9H2,(H,20,21)(H2,19,22,23)
InChIKeyLPOQMKUGFRZSKC-UHFFFAOYSA-N
XLogP2.70
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 17419772
2-(1,3-benzodioxol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 110767399
5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783682
2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1023165
3-(4-bromophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 3477779
(5-bromo-1-benzofuran-3-yl)methanol;ethane
CID 156725313
N-[(4-sulfamoylphenyl)methyl]-2-(1,2,5-trimethylpyrrol-3-yl)acetamide
CID 110773672
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512355
N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520368
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 18861075) is 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cc2coc3ccc(Br)cc23)cc1.
What is the InChIKey of 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is LPOQMKUGFRZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4S/c18-13-3-6-16-15(8-13)12(10-24-16)7-17(21)20-9-11-1-4-14(5-2-11)25(19,22)23/h1-6,8,10H,7,9H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 423.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 18861075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).