5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide

C15H20BrNOS — CID 55026651

IUPAC5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1csc(Br)c1)C2
InChIInChI=1S/C15H20BrNOS/c1-14(2)10-4-5-15(14,3)11(7-10)17-13(18)9-6-12(16)19-8-9/h6,8,10-11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyMCCVUSYYFWKIGK-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.46
Rot. Bonds2

About 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide

5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide (PubChem CID 55026651) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide
PubChem CID55026651
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC Name5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1csc(Br)c1)C2
InChIInChI=1S/C15H20BrNOS/c1-14(2)10-4-5-15(14,3)11(7-10)17-13(18)9-6-12(16)19-8-9/h6,8,10-11H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyMCCVUSYYFWKIGK-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60629735
3-bromo-4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951700
N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide
CID 98785961
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
2-[(5-bromothiophene-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760095
2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951697
2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60667301
4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335277
4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 98641400
2,2-diphenyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 4635743
5-pyridin-4-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-oxazole-3-carboxamide
CID 112845200
4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide (CID 55026651) is 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)c1csc(Br)c1)C2.
What is the InChIKey of 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide?
The InChIKey is MCCVUSYYFWKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c1-14(2)10-4-5-15(14,3)11(7-10)17-13(18)9-6-12(16)19-8-9/h6,8,10-11H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide?
5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide has a molecular weight of 342.30 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide is sourced from PubChem (CID 55026651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).