2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide

C14H13Br2NOS — CID 107962236

IUPAC2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C14H13Br2NOS/c1-3-9-4-6-10(7-5-9)17(2)14(18)11-8-12(15)19-13(11)16/h4-8H,3H2,1-2H3
InChIKeyZZOZDYAFUPXANN-UHFFFAOYSA-N
MW403.14 g/mol
LogP5.11
Rot. Bonds3

About 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide

2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide (PubChem CID 107962236) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
PubChem CID107962236
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C14H13Br2NOS/c1-3-9-4-6-10(7-5-9)17(2)14(18)11-8-12(15)19-13(11)16/h4-8H,3H2,1-2H3
InChIKeyZZOZDYAFUPXANN-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.14
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide
CID 106853847
2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
CID 114021335
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
N-(4-ethylphenyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79692778
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
N-(4-ethylphenyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728488
N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62003405
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide (CID 107962236) is 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide is CCc1ccc(N(C)C(=O)c2cc(Br)sc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide?
The InChIKey is ZZOZDYAFUPXANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c1-3-9-4-6-10(7-5-9)17(2)14(18)11-8-12(15)19-13(11)16/h4-8H,3H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide?
2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide has a molecular weight of 403.14 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 107962236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).