N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide

C15H20BrNOS — CID 79997853

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CC3CCC2C3)sc1Br
InChIInChI=1S/C15H20BrNOS/c1-8-5-13(19-14(8)16)15(18)17-9(2)12-7-10-3-4-11(12)6-10/h5,9-12H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyOUPNJWUGVAKWOJ-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.37
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 79997853) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID79997853
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)C2CC3CCC2C3)sc1Br
InChIInChI=1S/C15H20BrNOS/c1-8-5-13(19-14(8)16)15(18)17-9(2)12-7-10-3-4-11(12)6-10/h5,9-12H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyOUPNJWUGVAKWOJ-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5-dibromothiophene-2-carboxamide
CID 98074257
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 98614377
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 43054046
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120616369
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-bromo-3,5-dimethoxybenzamide
CID 43021469
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
CID 1292970
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-5-fluorobenzamide
CID 24699631
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-4-fluorobenzamide
CID 24708984

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide (CID 79997853) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC(C)C2CC3CCC2C3)sc1Br.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is OUPNJWUGVAKWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c1-8-5-13(19-14(8)16)15(18)17-9(2)12-7-10-3-4-11(12)6-10/h5,9-12H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 342.30 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79997853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).