3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide

C10H14BrNO2S — CID 60778343

IUPAC3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CCO)C(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO2S/c1-2-4-12(5-6-13)10(14)9-8(11)3-7-15-9/h3,7,13H,2,4-6H2,1H3
InChIKeyRILUUCXEPTXUMZ-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.36
Rot. Bonds5

About 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide

3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide (PubChem CID 60778343) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
PubChem CID60778343
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(CCO)C(=O)c1sccc1Br
InChIInChI=1S/C10H14BrNO2S/c1-2-4-12(5-6-13)10(14)9-8(11)3-7-15-9/h3,7,13H,2,4-6H2,1H3
InChIKeyRILUUCXEPTXUMZ-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
3-bromo-N-propyl-N-prop-2-ynylthiophene-2-carboxamide
CID 78970456
3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63797282
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
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
3-ethyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 113351138
3-amino-N-ethyl-N-propylthiophene-2-carboxamide
CID 61095166

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide (CID 60778343) is 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide is CCCN(CCO)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide?
The InChIKey is RILUUCXEPTXUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-2-4-12(5-6-13)10(14)9-8(11)3-7-15-9/h3,7,13H,2,4-6H2,1H3.
What are the key properties of 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide?
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 60778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).