5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide

C13H11Br2NOS — CID 47159789

IUPAC5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H11Br2NOS/c1-8(9-2-4-11(14)5-3-9)16-13(17)10-6-12(15)18-7-10/h2-8H,1H3,(H,16,17)
InChIKeyDJLAEISFLRGHCN-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.76
Rot. Bonds3

About 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide

5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide (PubChem CID 47159789) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
PubChem CID47159789
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H11Br2NOS/c1-8(9-2-4-11(14)5-3-9)16-13(17)10-6-12(15)18-7-10/h2-8H,1H3,(H,16,17)
InChIKeyDJLAEISFLRGHCN-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114020924
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CID 63523702
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5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
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5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
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5-bromo-N-[1-(3-nitrophenyl)ethyl]thiophene-3-carboxamide
CID 47267855
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
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CID 26072551

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide (CID 47159789) is 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide is CC(NC(=O)c1csc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is DJLAEISFLRGHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-8(9-2-4-11(14)5-3-9)16-13(17)10-6-12(15)18-7-10/h2-8H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide?
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 389.11 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 47159789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).