4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide

C11H9Br2NO2S — CID 17480059

IUPAC4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1ccco1
InChIInChI=1S/C11H9Br2NO2S/c1-6(8-3-2-4-16-8)14-11(15)9-5-7(12)10(13)17-9/h2-6H,1H3,(H,14,15)
InChIKeyPQWRMEJJICNUGH-UHFFFAOYSA-N
MW379.07 g/mol
LogP4.36
Rot. Bonds3

About 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide

4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 17480059) has the molecular formula C11H9Br2NO2S and a molecular weight of 379.07 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID17480059
Molecular FormulaC11H9Br2NO2S
Molecular Weight379.07 g/mol
Exact Mass376.87
IUPAC Name4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1ccco1
InChIInChI=1S/C11H9Br2NO2S/c1-6(8-3-2-4-16-8)14-11(15)9-5-7(12)10(13)17-9/h2-6H,1H3,(H,14,15)
InChIKeyPQWRMEJJICNUGH-UHFFFAOYSA-N
XLogP4.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.07
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 10401418
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
CID 78911568
[(1S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2450333
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
5-amino-N-[1-(furan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616077
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
4,5-dibromo-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 80536678
4,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 80536523
4,5-dibromo-N-[(1S)-1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 999661
4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
CID 47161738

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide (CID 17480059) is 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cc(Br)c(Br)s1)c1ccco1.
What is the InChIKey of 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is PQWRMEJJICNUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO2S/c1-6(8-3-2-4-16-8)14-11(15)9-5-7(12)10(13)17-9/h2-6H,1H3,(H,14,15).
What are the key properties of 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 379.07 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17480059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).