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

C14H10BrNO2S — CID 78985913

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1sccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C14H10BrNO2S/c15-10-5-6-19-13(10)8-16-14(17)12-7-9-3-1-2-4-11(9)18-12/h1-7H,8H2,(H,16,17)
InChIKeyWVNWXINWDNKOAD-UHFFFAOYSA-N
MW336.21 g/mol
LogP4.19
Rot. Bonds3

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

N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 78985913) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID78985913
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1sccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C14H10BrNO2S/c15-10-5-6-19-13(10)8-16-14(17)12-7-9-3-1-2-4-11(9)18-12/h1-7H,8H2,(H,16,17)
InChIKeyWVNWXINWDNKOAD-UHFFFAOYSA-N
XLogP4.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
5-[(3-bromothiophen-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432380
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126810270
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 78985913) is N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide is O=C(NCc1sccc1Br)c1cc2ccccc2o1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WVNWXINWDNKOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c15-10-5-6-19-13(10)8-16-14(17)12-7-9-3-1-2-4-11(9)18-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78985913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).