5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide

C14H12BrNO2S — CID 39237368

IUPAC5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1Cc2ccccc2O1)c1ccc(Br)s1
InChIInChI=1S/C14H12BrNO2S/c15-13-6-5-12(19-13)14(17)16-8-10-7-9-3-1-2-4-11(9)18-10/h1-6,10H,7-8H2,(H,16,17)/t10-/m1/s1
InChIKeyKBQYWXHHMRCHEB-SNVBAGLBSA-N
MW338.23 g/mol
LogP3.24
Rot. Bonds3

About 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide

5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 39237368) has the molecular formula C14H12BrNO2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
PubChem CID39237368
Molecular FormulaC14H12BrNO2S
Molecular Weight338.23 g/mol
Exact Mass336.98
IUPAC Name5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1Cc2ccccc2O1)c1ccc(Br)s1
InChIInChI=1S/C14H12BrNO2S/c15-13-6-5-12(19-13)14(17)16-8-10-7-9-3-1-2-4-11(9)18-10/h1-6,10H,7-8H2,(H,16,17)/t10-/m1/s1
InChIKeyKBQYWXHHMRCHEB-SNVBAGLBSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 94096638
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
5-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55826174
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
4-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 51891597
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide (CID 39237368) is 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1Cc2ccccc2O1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is KBQYWXHHMRCHEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12BrNO2S/c15-13-6-5-12(19-13)14(17)16-8-10-7-9-3-1-2-4-11(9)18-10/h1-6,10H,7-8H2,(H,16,17)/t10-/m1/s1.
What are the key properties of 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide?
5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 338.23 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 39237368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).