5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C15H12BrNO2S — CID 2498342

IUPAC5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2ccc(Br)cc12
InChIInChI=1S/C15H12BrNO2S/c1-9-12-7-10(16)4-5-13(12)19-14(9)15(18)17-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,17,18)
InChIKeyNTTLBRHHNLAXFE-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.50
Rot. Bonds3

About 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 2498342) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID2498342
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)oc2ccc(Br)cc12
InChIInChI=1S/C15H12BrNO2S/c1-9-12-7-10(16)4-5-13(12)19-14(9)15(18)17-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,17,18)
InChIKeyNTTLBRHHNLAXFE-UHFFFAOYSA-N
XLogP4.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Bromo-3-methyl-1-benzofuran-2-yl)-pyrrolidin-1-ylmethanone
CID 18108555
N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 2675152
N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 67511180
1-[(5-Bromo-1-benzofuran-2-yl)carbonyl]pyrrolidine
CID 2985531
5-bromo-N-(2-furylmethyl)-1-benzofuran-2-carboxamide
CID 2987366
N-[1-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 3244519
5-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 16013036
6-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 16013053
[4-[(5-Bromothiophen-2-yl)methyl]piperazin-1-yl]-[3-(ethoxymethyl)-1-benzofuran-2-yl]methanone
CID 16295540
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 18157867
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 24686991
5-bromo-N-cyclopentyl-1-benzofuran-2-carboxamide
CID 2987008

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 2498342) is 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cccs2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is NTTLBRHHNLAXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-9-12-7-10(16)4-5-13(12)19-14(9)15(18)17-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 350.24 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2498342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).