5-bromo-N,N-dibutylthiophene-3-carboxamide

C13H20BrNOS — CID 43424654

IUPAC5-bromo-N,N-dibutylthiophene-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H20BrNOS/c1-3-5-7-15(8-6-4-2)13(16)11-9-12(14)17-10-11/h9-10H,3-8H2,1-2H3
InChIKeyWEDZNNSFXFQGMF-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.55
Rot. Bonds7

About 5-bromo-N,N-dibutylthiophene-3-carboxamide

5-bromo-N,N-dibutylthiophene-3-carboxamide (PubChem CID 43424654) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 5-bromo-N,N-dibutylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dibutylthiophene-3-carboxamide
PubChem CID43424654
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name5-bromo-N,N-dibutylthiophene-3-carboxamide
SMILESCCCCN(CCCC)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H20BrNOS/c1-3-5-7-15(8-6-4-2)13(16)11-9-12(14)17-10-11/h9-10H,3-8H2,1-2H3
InChIKeyWEDZNNSFXFQGMF-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dibutylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N,N-dibutylthiophene-3-carboxamide (CID 43424654) is 5-bromo-N,N-dibutylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dibutylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N,N-dibutylthiophene-3-carboxamide is CCCCN(CCCC)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N,N-dibutylthiophene-3-carboxamide?
The InChIKey is WEDZNNSFXFQGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-3-5-7-15(8-6-4-2)13(16)11-9-12(14)17-10-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-bromo-N,N-dibutylthiophene-3-carboxamide?
5-bromo-N,N-dibutylthiophene-3-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dibutylthiophene-3-carboxamide is sourced from PubChem (CID 43424654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).