4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide

C18H22N2O4S — CID 90590668

IUPAC4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14-4-6-15(7-5-14)19-18(21)20-10-8-17(9-11-20)25(22,23)13-16-3-2-12-24-16/h2-7,12,17H,8-11,13H2,1H3,(H,19,21)
InChIKeyJVOZHZPQDOYVKJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.20
Rot. Bonds4

About 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide

4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 90590668) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID90590668
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14-4-6-15(7-5-14)19-18(21)20-10-8-17(9-11-20)25(22,23)13-16-3-2-12-24-16/h2-7,12,17H,8-11,13H2,1H3,(H,19,21)
InChIKeyJVOZHZPQDOYVKJ-UHFFFAOYSA-N
XLogP3.20
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594701
3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 90594704
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
1-(2,5-dimethylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590683
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90590425
3-(3,5-ditert-butylphenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 90590483
N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide
CID 24730910
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide (CID 90590668) is 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is JVOZHZPQDOYVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-4-6-15(7-5-14)19-18(21)20-10-8-17(9-11-20)25(22,23)13-16-3-2-12-24-16/h2-7,12,17H,8-11,13H2,1H3,(H,19,21).
What are the key properties of 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 90590668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).