4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide

C18H15Br2NO3S — CID 46470427

IUPAC4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C18H15Br2NO3S/c19-15-8-16(25-17(15)20)18(22)21-9-12-3-1-4-13(7-12)10-23-11-14-5-2-6-24-14/h1-8H,9-11H2,(H,21,22)
InChIKeyPQLNQJCVZPUUSR-UHFFFAOYSA-N
MW485.20 g/mol
LogP5.51
Rot. Bonds7

About 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide

4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 46470427) has the molecular formula C18H15Br2NO3S and a molecular weight of 485.20 g/mol. Its IUPAC name is 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID46470427
Molecular FormulaC18H15Br2NO3S
Molecular Weight485.20 g/mol
Exact Mass482.91
IUPAC Name4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(COCc2ccco2)c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C18H15Br2NO3S/c19-15-8-16(25-17(15)20)18(22)21-9-12-3-1-4-13(7-12)10-23-11-14-5-2-6-24-14/h1-8H,9-11H2,(H,21,22)
InChIKeyPQLNQJCVZPUUSR-UHFFFAOYSA-N
XLogP5.51
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.20
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 55660950
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
4,5-dibromo-N-[(3-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 32636145
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56812373
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-nitrobenzamide
CID 46434217
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
CID 79929368
4,5-dibromo-N-[(3-carbamothioylphenyl)methyl]thiophene-2-carboxamide
CID 80536329
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(propanoylamino)benzamide
CID 55842112

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide (CID 46470427) is 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1cccc(COCc2ccco2)c1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is PQLNQJCVZPUUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2NO3S/c19-15-8-16(25-17(15)20)18(22)21-9-12-3-1-4-13(7-12)10-23-11-14-5-2-6-24-14/h1-8H,9-11H2,(H,21,22).
What are the key properties of 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 485.20 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46470427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).