5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide

C14H13BrN2O2S — CID 46568246

IUPAC5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H13BrN2O2S/c1-2-13(18)16-9-4-3-5-10(8-9)17-14(19)11-6-7-12(15)20-11/h3-8H,2H2,1H3,(H,16,18)(H,17,19)
InChIKeyMAFGXKFHAYSCRI-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.11
Rot. Bonds4

About 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide

5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide (PubChem CID 46568246) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
PubChem CID46568246
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H13BrN2O2S/c1-2-13(18)16-9-4-3-5-10(8-9)17-14(19)11-6-7-12(15)20-11/h3-8H,2H2,1H3,(H,16,18)(H,17,19)
InChIKeyMAFGXKFHAYSCRI-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 42236342
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
CID 27229207
5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
CID 2313809
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
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N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
5-bromo-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 60732690
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide (CID 46568246) is 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is MAFGXKFHAYSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-2-13(18)16-9-4-3-5-10(8-9)17-14(19)11-6-7-12(15)20-11/h3-8H,2H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide?
5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 353.24 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46568246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).