5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide

C17H19BrN2O4S — CID 4878026

IUPAC5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H19BrN2O4S/c1-12-5-6-13(25(22,23)20-9-3-2-4-10-20)11-14(12)19-17(21)15-7-8-16(18)24-15/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyULOHDRUTEROPGP-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.78
Rot. Bonds4

About 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide

5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide (PubChem CID 4878026) has the molecular formula C17H19BrN2O4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
PubChem CID4878026
Molecular FormulaC17H19BrN2O4S
Molecular Weight427.32 g/mol
Exact Mass426.02
IUPAC Name5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H19BrN2O4S/c1-12-5-6-13(25(22,23)20-9-3-2-4-10-20)11-14(12)19-17(21)15-7-8-16(18)24-15/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyULOHDRUTEROPGP-UHFFFAOYSA-N
XLogP3.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
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2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
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N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
1-methyl-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea
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2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
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CID 1216575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide (CID 4878026) is 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is ULOHDRUTEROPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-12-5-6-13(25(22,23)20-9-3-2-4-10-20)11-14(12)19-17(21)15-7-8-16(18)24-15/h5-8,11H,2-4,9-10H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 427.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 4878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).