5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide

C17H17BrN2O2S — CID 37079607

IUPAC5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1csc(Br)c1
InChIInChI=1S/C17H17BrN2O2S/c18-15-10-12(11-23-15)16(21)19-14-7-3-2-6-13(14)17(22)20-8-4-1-5-9-20/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,19,21)
InChIKeyQNMFHTQQNXFYDK-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.39
Rot. Bonds3

About 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide

5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide (PubChem CID 37079607) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
PubChem CID37079607
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC Name5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1csc(Br)c1
InChIInChI=1S/C17H17BrN2O2S/c18-15-10-12(11-23-15)16(21)19-14-7-3-2-6-13(14)17(22)20-8-4-1-5-9-20/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,19,21)
InChIKeyQNMFHTQQNXFYDK-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 134012574
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 47243449
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
CID 39638037
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 35275154
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide (CID 37079607) is 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide?
The InChIKey is QNMFHTQQNXFYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c18-15-10-12(11-23-15)16(21)19-14-7-3-2-6-13(14)17(22)20-8-4-1-5-9-20/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,19,21).
What are the key properties of 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide?
5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 37079607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).