2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide

C13H11Br2NO2S — CID 113237216

IUPAC2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H11Br2NO2S/c1-7-3-4-10(18-2)9(5-7)16-13(17)8-6-11(14)19-12(8)15/h3-6H,1-2H3,(H,16,17)
InChIKeyYTINKUZYZWVNLU-UHFFFAOYSA-N
MW405.11 g/mol
LogP4.84
Rot. Bonds3

About 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide

2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide (PubChem CID 113237216) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
PubChem CID113237216
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC Name2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H11Br2NO2S/c1-7-3-4-10(18-2)9(5-7)16-13(17)8-6-11(14)19-12(8)15/h3-6H,1-2H3,(H,16,17)
InChIKeyYTINKUZYZWVNLU-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide
CID 103805348
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide (CID 113237216) is 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide?
The InChIKey is YTINKUZYZWVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c1-7-3-4-10(18-2)9(5-7)16-13(17)8-6-11(14)19-12(8)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide has a molecular weight of 405.11 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 113237216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).