3-bromo-N,N-dicyclopentylthiophene-2-carboxamide

C15H20BrNOS — CID 60619670

IUPAC3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C15H20BrNOS/c16-13-9-10-19-14(13)15(18)17(11-5-1-2-6-11)12-7-3-4-8-12/h9-12H,1-8H2
InChIKeyFPNDOJHSNSTVHV-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.84
Rot. Bonds3

About 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide

3-bromo-N,N-dicyclopentylthiophene-2-carboxamide (PubChem CID 60619670) has the molecular formula C15H20BrNOS and a molecular weight of 342.30 g/mol. Its IUPAC name is 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
PubChem CID60619670
Molecular FormulaC15H20BrNOS
Molecular Weight342.30 g/mol
Exact Mass341.04
IUPAC Name3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
SMILESO=C(c1sccc1Br)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C15H20BrNOS/c16-13-9-10-19-14(13)15(18)17(11-5-1-2-6-11)12-7-3-4-8-12/h9-12H,1-8H2
InChIKeyFPNDOJHSNSTVHV-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-bromo-N,N-dicyclopentylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide (CID 60619670) is 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide is O=C(c1sccc1Br)N(C1CCCC1)C1CCCC1.
What is the InChIKey of 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide?
The InChIKey is FPNDOJHSNSTVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNOS/c16-13-9-10-19-14(13)15(18)17(11-5-1-2-6-11)12-7-3-4-8-12/h9-12H,1-8H2.
What are the key properties of 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide?
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide has a molecular weight of 342.30 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-dicyclopentylthiophene-2-carboxamide is sourced from PubChem (CID 60619670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).