4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide

C15H15Br2NO2S — CID 51935853

IUPAC4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NO2S/c1-9(10-6-4-5-7-12(10)20-3)18(2)15(19)13-8-11(16)14(17)21-13/h4-9H,1-3H3/t9-/m1/s1
InChIKeyNRYGVPJOKGDGFB-SECBINFHSA-N
MW433.17 g/mol
LogP5.11
Rot. Bonds4

About 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide

4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 51935853) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID51935853
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NO2S/c1-9(10-6-4-5-7-12(10)20-3)18(2)15(19)13-8-11(16)14(17)21-13/h4-9H,1-3H3/t9-/m1/s1
InChIKeyNRYGVPJOKGDGFB-SECBINFHSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.17
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 107518506
N-[1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43060697
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 130684536
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 134054677

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide (CID 51935853) is 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide is COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is NRYGVPJOKGDGFB-SECBINFHSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-9(10-6-4-5-7-12(10)20-3)18(2)15(19)13-8-11(16)14(17)21-13/h4-9H,1-3H3/t9-/m1/s1.
What are the key properties of 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 433.17 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 51935853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).