N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide

C17H14BrNO2S — CID 24588409

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H14BrNO2S/c18-14-3-1-13(2-4-14)16-6-5-15(21-16)10-19-17(20)9-12-7-8-22-11-12/h1-8,11H,9-10H2,(H,19,20)
InChIKeyIMJIBIBUUNUMEN-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.63
Rot. Bonds5

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 24588409) has the molecular formula C17H14BrNO2S and a molecular weight of 376.28 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID24588409
Molecular FormulaC17H14BrNO2S
Molecular Weight376.28 g/mol
Exact Mass374.99
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H14BrNO2S/c18-14-3-1-13(2-4-14)16-6-5-15(21-16)10-19-17(20)9-12-7-8-22-11-12/h1-8,11H,9-10H2,(H,19,20)
InChIKeyIMJIBIBUUNUMEN-UHFFFAOYSA-N
XLogP4.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[5-(4-bromophenyl)furan-2-yl]methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 24588444
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 24588403
5-bromo-N-[[5-(4-bromophenyl)furan-2-yl]methyl]furan-2-carboxamide
CID 17335172
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-5-methylfuran-2-carboxamide
CID 46683025
3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide
CID 126854811
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide
CID 46691827
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 17335196
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 24588410
N-[[5-(4-bromophenyl)furan-2-yl]methylcarbamothioyl]furan-2-carboxamide
CID 9184943

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide (CID 24588409) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is IMJIBIBUUNUMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2S/c18-14-3-1-13(2-4-14)16-6-5-15(21-16)10-19-17(20)9-12-7-8-22-11-12/h1-8,11H,9-10H2,(H,19,20).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 376.28 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 24588409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).