N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide

C15H11Br2NO2S — CID 78911568

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1cc2ccccc2o1
InChIInChI=1S/C15H11Br2NO2S/c1-8(12-6-9-4-2-3-5-11(9)20-12)18-15(19)13-7-10(16)14(17)21-13/h2-8H,1H3,(H,18,19)
InChIKeyQMMYFWGMENDPQY-UHFFFAOYSA-N
MW429.13 g/mol
LogP5.51
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide (PubChem CID 78911568) has the molecular formula C15H11Br2NO2S and a molecular weight of 429.13 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
PubChem CID78911568
Molecular FormulaC15H11Br2NO2S
Molecular Weight429.13 g/mol
Exact Mass426.89
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1cc2ccccc2o1
InChIInChI=1S/C15H11Br2NO2S/c1-8(12-6-9-4-2-3-5-11(9)20-12)18-15(19)13-7-10(16)14(17)21-13/h2-8H,1H3,(H,18,19)
InChIKeyQMMYFWGMENDPQY-UHFFFAOYSA-N
XLogP5.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.13
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9367006
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001499
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
CID 17496272
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide (CID 78911568) is N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide is CC(NC(=O)c1cc(Br)c(Br)s1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide?
The InChIKey is QMMYFWGMENDPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO2S/c1-8(12-6-9-4-2-3-5-11(9)20-12)18-15(19)13-7-10(16)14(17)21-13/h2-8H,1H3,(H,18,19).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide has a molecular weight of 429.13 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 78911568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).