1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide

C18H20BrFN2O3S2 — CID 24629779

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1F
InChIInChI=1S/C18H20BrFN2O3S2/c1-12-4-5-13(9-15(12)20)10-21-18(23)14-3-2-8-22(11-14)27(24,25)17-7-6-16(19)26-17/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,21,23)
InChIKeyIHAUMBBDMLENNN-UHFFFAOYSA-N
MW475.41 g/mol
LogP3.68
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 24629779) has the molecular formula C18H20BrFN2O3S2 and a molecular weight of 475.41 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID24629779
Molecular FormulaC18H20BrFN2O3S2
Molecular Weight475.41 g/mol
Exact Mass474.01
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1F
InChIInChI=1S/C18H20BrFN2O3S2/c1-12-4-5-13(9-15(12)20)10-21-18(23)14-3-2-8-22(11-14)27(24,25)17-7-6-16(19)26-17/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,21,23)
InChIKeyIHAUMBBDMLENNN-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 78838767
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 24642184
ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 24654701
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
1-(5-bromothiophen-2-yl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 24654803
N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002117
(3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30376778
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
1-(5-bromothiophen-2-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 60519424
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17469505

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide (CID 24629779) is 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IHAUMBBDMLENNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O3S2/c1-12-4-5-13(9-15(12)20)10-21-18(23)14-3-2-8-22(11-14)27(24,25)17-7-6-16(19)26-17/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,21,23).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 475.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24629779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).