4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide

C15H15Br2NOS — CID 78906422

IUPAC4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NOS/c1-15(2,3)9-6-4-5-7-11(9)18-14(19)12-8-10(16)13(17)20-12/h4-8H,1-3H3,(H,18,19)
InChIKeyLBWRGFLZBQWWMP-UHFFFAOYSA-N
MW417.17 g/mol
LogP5.82
Rot. Bonds2

About 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide (PubChem CID 78906422) has the molecular formula C15H15Br2NOS and a molecular weight of 417.17 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
PubChem CID78906422
Molecular FormulaC15H15Br2NOS
Molecular Weight417.17 g/mol
Exact Mass414.92
IUPAC Name4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NOS/c1-15(2,3)9-6-4-5-7-11(9)18-14(19)12-8-10(16)13(17)20-12/h4-8H,1-3H3,(H,18,19)
InChIKeyLBWRGFLZBQWWMP-UHFFFAOYSA-N
XLogP5.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.17
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 39498025
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
CID 19205138
4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
CID 63525115
3-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylbenzoic acid
CID 43239573
4,5-dibromo-N-tert-butylthiophene-2-carboxamide
CID 15790561
2-[(4,5-dibromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442741
4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 42971041
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
CID 47317630
4,5-dibromo-N-(2-methyl-4-nitrophenyl)thiophene-2-carboxamide
CID 19205255
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide (CID 78906422) is 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide?
The InChIKey is LBWRGFLZBQWWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NOS/c1-15(2,3)9-6-4-5-7-11(9)18-14(19)12-8-10(16)13(17)20-12/h4-8H,1-3H3,(H,18,19).
What are the key properties of 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide has a molecular weight of 417.17 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 78906422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).