N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide

C21H28N2O4S — CID 90590653

IUPACN-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1
InChIInChI=1S/C21H28N2O4S/c1-21(2,3)16-6-8-17(9-7-16)22-20(24)23-12-10-19(11-13-23)28(25,26)15-18-5-4-14-27-18/h4-9,14,19H,10-13,15H2,1-3H3,(H,22,24)
InChIKeyLPHLKXZKLLHQIT-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.19
Rot. Bonds4

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

N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide (PubChem CID 90590653) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
PubChem CID90590653
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1
InChIInChI=1S/C21H28N2O4S/c1-21(2,3)16-6-8-17(9-7-16)22-20(24)23-12-10-19(11-13-23)28(25,26)15-18-5-4-14-27-18/h4-9,14,19H,10-13,15H2,1-3H3,(H,22,24)
InChIKeyLPHLKXZKLLHQIT-UHFFFAOYSA-N
XLogP4.19
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
(4-tert-butylphenyl)-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]methanone
CID 90590625
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 90590612
3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 90594704
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
3-(3,5-ditert-butylphenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 90590483
N-(3,4-dimethylphenyl)-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594701
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685
N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide
CID 20630756
[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90590425
1-[(3R)-3-(furan-2-ylmethylsulfonyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 99873503

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide (CID 90590653) is N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide?
The InChIKey is LPHLKXZKLLHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-21(2,3)16-6-8-17(9-7-16)22-20(24)23-12-10-19(11-13-23)28(25,26)15-18-5-4-14-27-18/h4-9,14,19H,10-13,15H2,1-3H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide?
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide has a molecular weight of 404.53 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide is sourced from PubChem (CID 90590653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).