3-bromo-N,N-dipropylthiophene-2-carboxamide

C11H16BrNOS — CID 55028228

IUPAC3-bromo-N,N-dipropylthiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNOS/c1-3-6-13(7-4-2)11(14)10-9(12)5-8-15-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyHMVTVUMUWCRLKS-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.77
Rot. Bonds5

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

3-bromo-N,N-dipropylthiophene-2-carboxamide (PubChem CID 55028228) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-bromo-N,N-dipropylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N,N-dipropylthiophene-2-carboxamide
PubChem CID55028228
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name3-bromo-N,N-dipropylthiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNOS/c1-3-6-13(7-4-2)11(14)10-9(12)5-8-15-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyHMVTVUMUWCRLKS-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
CID 60778343
3-bromo-N-propyl-N-prop-2-ynylthiophene-2-carboxamide
CID 78970456
3-bromo-N-(piperidin-4-ylmethyl)-N-propylthiophene-2-carboxamide
CID 79720482
3-bromo-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60778389
N-(2-amino-2-oxoethyl)-3-bromo-N-ethylthiophene-2-carboxamide
CID 103102639
3-bromo-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102978871
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80666056
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166
3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63797282
3-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60775997
3-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 62734954

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-dipropylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N,N-dipropylthiophene-2-carboxamide (CID 55028228) is 3-bromo-N,N-dipropylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N,N-dipropylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N,N-dipropylthiophene-2-carboxamide is CCCN(CCC)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N,N-dipropylthiophene-2-carboxamide?
The InChIKey is HMVTVUMUWCRLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-3-6-13(7-4-2)11(14)10-9(12)5-8-15-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 3-bromo-N,N-dipropylthiophene-2-carboxamide?
3-bromo-N,N-dipropylthiophene-2-carboxamide has a molecular weight of 290.23 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-dipropylthiophene-2-carboxamide is sourced from PubChem (CID 55028228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).