4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide

C18H18Br2N2O2S — CID 24516970

IUPAC4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C18H18Br2N2O2S/c19-14-10-15(25-16(14)20)17(23)21-11-12-4-6-13(7-5-12)18(24)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9,11H2,(H,21,23)
InChIKeyLWHCJTUHGRZTFN-UHFFFAOYSA-N
MW486.23 g/mol
LogP4.83
Rot. Bonds4

About 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide

4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 24516970) has the molecular formula C18H18Br2N2O2S and a molecular weight of 486.23 g/mol. Its IUPAC name is 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID24516970
Molecular FormulaC18H18Br2N2O2S
Molecular Weight486.23 g/mol
Exact Mass483.95
IUPAC Name4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C18H18Br2N2O2S/c19-14-10-15(25-16(14)20)17(23)21-11-12-4-6-13(7-5-12)18(24)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9,11H2,(H,21,23)
InChIKeyLWHCJTUHGRZTFN-UHFFFAOYSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.23
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 112725586
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
4-bromo-3-(dimethylsulfamoyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29333465
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
6-methyl-2-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 78895539

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide (CID 24516970) is 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is LWHCJTUHGRZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O2S/c19-14-10-15(25-16(14)20)17(23)21-11-12-4-6-13(7-5-12)18(24)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9,11H2,(H,21,23).
What are the key properties of 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 486.23 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24516970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).