1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C19H24N2O4S — CID 47090075

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C19H24N2O4S/c1-14-5-6-15(2)18(12-14)26(23,24)21-9-7-16(8-10-21)19(22)20-13-17-4-3-11-25-17/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,20,22)
InChIKeyRURCSRFRGGGFOR-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.61
Rot. Bonds5

About 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 47090075) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID47090075
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1
InChIInChI=1S/C19H24N2O4S/c1-14-5-6-15(2)18(12-14)26(23,24)21-9-7-16(8-10-21)19(22)20-13-17-4-3-11-25-17/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,20,22)
InChIKeyRURCSRFRGGGFOR-UHFFFAOYSA-N
XLogP2.61
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 27650062
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
(3S)-N-(furan-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1249721
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27240838
1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590683
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3162871
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
1-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 100780680
N-[[(2R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 7286483
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 47090075) is 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is RURCSRFRGGGFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-5-6-15(2)18(12-14)26(23,24)21-9-7-16(8-10-21)19(22)20-13-17-4-3-11-25-17/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,20,22).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47090075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).