5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide

C21H27N3O6S2 — CID 55920724

IUPAC5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C21H27N3O6S2/c25-21(18-11-12-20(30-18)32(28,29)24-15-7-2-8-16-24)22-17-9-3-4-10-19(17)31(26,27)23-13-5-1-6-14-23/h3-4,9-12H,1-2,5-8,13-16H2,(H,22,25)
InChIKeyPVRIDJYLLSBYJX-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.88
Rot. Bonds6

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

5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide (PubChem CID 55920724) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
PubChem CID55920724
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C21H27N3O6S2/c25-21(18-11-12-20(30-18)32(28,29)24-15-7-2-8-16-24)22-17-9-3-4-10-19(17)31(26,27)23-13-5-1-6-14-23/h3-4,9-12H,1-2,5-8,13-16H2,(H,22,25)
InChIKeyPVRIDJYLLSBYJX-UHFFFAOYSA-N
XLogP2.88
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55633494
5-piperidin-1-ylsulfonyl-N-(2-propoxyphenyl)furan-2-carboxamide
CID 46411239
5-[(2-oxo-1-pyridinyl)methyl]-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 60549570
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55660521
methyl 2-hydroxy-3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 56576104
N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55631341
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46461599
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919824
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46575932
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide (CID 55920724) is 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide is O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is PVRIDJYLLSBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c25-21(18-11-12-20(30-18)32(28,29)24-15-7-2-8-16-24)22-17-9-3-4-10-19(17)31(26,27)23-13-5-1-6-14-23/h3-4,9-12H,1-2,5-8,13-16H2,(H,22,25).
What are the key properties of 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide?
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 55920724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).