5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide

C17H21BrN2O2S — CID 55538484

IUPAC5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C17H21BrN2O2S/c1-3-20(4-2)11-12-22-14-8-6-5-7-13(14)19-17(21)15-9-10-16(18)23-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyFXXVKNPOVXHSOC-UHFFFAOYSA-N
MW397.34 g/mol
LogP4.48
Rot. Bonds8

About 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide

5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide (PubChem CID 55538484) has the molecular formula C17H21BrN2O2S and a molecular weight of 397.34 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide
PubChem CID55538484
Molecular FormulaC17H21BrN2O2S
Molecular Weight397.34 g/mol
Exact Mass396.05
IUPAC Name5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)c1ccc(Br)s1
InChIInChI=1S/C17H21BrN2O2S/c1-3-20(4-2)11-12-22-14-8-6-5-7-13(14)19-17(21)15-9-10-16(18)23-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeyFXXVKNPOVXHSOC-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
3,4,5,6-tetrachloro-N-[2-[2-(diethylamino)ethoxy]phenyl]pyridine-2-carboxamide
CID 55529164
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide
CID 55528750
2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride
CID 50986831
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropanamide;dihydrochloride
CID 119952938
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 55538487
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775696
2-(3,4-dichlorophenyl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 17499285
5-bromo-N-(2-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26290740
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 55580634

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide (CID 55538484) is 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide is CCN(CC)CCOc1ccccc1NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is FXXVKNPOVXHSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2S/c1-3-20(4-2)11-12-22-14-8-6-5-7-13(14)19-17(21)15-9-10-16(18)23-15/h5-10H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide?
5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 397.34 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(diethylamino)ethoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55538484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).