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

C14H10Br2N2OS — CID 47161738

IUPAC4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(C#N)cc1
InChIInChI=1S/C14H10Br2N2OS/c1-8(10-4-2-9(7-17)3-5-10)18-14(19)12-6-11(15)13(16)20-12/h2-6,8H,1H3,(H,18,19)
InChIKeyLCGZLSMVSOTHMF-UHFFFAOYSA-N
MW414.12 g/mol
LogP4.64
Rot. Bonds3

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

4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 47161738) has the molecular formula C14H10Br2N2OS and a molecular weight of 414.12 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
PubChem CID47161738
Molecular FormulaC14H10Br2N2OS
Molecular Weight414.12 g/mol
Exact Mass411.89
IUPAC Name4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(C#N)cc1
InChIInChI=1S/C14H10Br2N2OS/c1-8(10-4-2-9(7-17)3-5-10)18-14(19)12-6-11(15)13(16)20-12/h2-6,8H,1H3,(H,18,19)
InChIKeyLCGZLSMVSOTHMF-UHFFFAOYSA-N
XLogP4.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 80536523
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807
4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 55584438
4,5-dibromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-carboxamide
CID 55360616
N-[1-(4-cyanophenyl)ethyl]-2,5-dimethylthiophene-3-carboxamide
CID 47161800
2-bromo-N-[1-(4-cyanophenyl)ethyl]-5-fluorobenzamide
CID 60736786
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999
2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
CID 106852686
4,5-dibromo-N-[(1S)-1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 999661
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 55582791
4,5-dibromo-N-[1-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 17480059

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide (CID 47161738) is 4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(C#N)cc1.
What is the InChIKey of 4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is LCGZLSMVSOTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2OS/c1-8(10-4-2-9(7-17)3-5-10)18-14(19)12-6-11(15)13(16)20-12/h2-6,8H,1H3,(H,18,19).
What are the key properties of 4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 414.12 g/mol, XLogP of 4.64, 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-(4-cyanophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47161738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).