N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide

C15H12BrNO2S — CID 47389196

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H12BrNO2S/c1-17(8-10-6-14(16)20-9-10)15(18)13-7-11-4-2-3-5-12(11)19-13/h2-7,9H,8H2,1H3
InChIKeyNJPRBSJNNPKLOI-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.53
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 47389196) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID47389196
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H12BrNO2S/c1-17(8-10-6-14(16)20-9-10)15(18)13-7-11-4-2-3-5-12(11)19-13/h2-7,9H,8H2,1H3
InChIKeyNJPRBSJNNPKLOI-UHFFFAOYSA-N
XLogP4.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(3-cyanophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 86925685
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
1-[(5-bromothiophen-3-yl)methyl]-1-methyl-3-phenylurea
CID 47390277
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
CID 43235400
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 47389196) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NJPRBSJNNPKLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-17(8-10-6-14(16)20-9-10)15(18)13-7-11-4-2-3-5-12(11)19-13/h2-7,9H,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 350.24 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47389196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).