N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide

C24H26N2O4S — CID 24730910

IUPACN-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(-c4ccco4)cc3)CC2)cc1
InChIInChI=1S/C24H26N2O4S/c1-2-18-5-9-20(10-6-18)25-24(27)26-15-13-22(14-16-26)31(28,29)21-11-7-19(8-12-21)23-4-3-17-30-23/h3-12,17,22H,2,13-16H2,1H3,(H,25,27)
InChIKeyVYAYXPSWMBMFBK-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.98
Rot. Bonds5

About N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide

N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide (PubChem CID 24730910) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide
PubChem CID24730910
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(-c4ccco4)cc3)CC2)cc1
InChIInChI=1S/C24H26N2O4S/c1-2-18-5-9-20(10-6-18)25-24(27)26-15-13-22(14-16-26)31(28,29)21-11-7-19(8-12-21)23-4-3-17-30-23/h3-12,17,22H,2,13-16H2,1H3,(H,25,27)
InChIKeyVYAYXPSWMBMFBK-UHFFFAOYSA-N
XLogP4.98
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carbonyl]amino]benzoate
CID 24730912
4-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90589838
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
N-[4-(furan-2-yl)phenyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 74234418
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
N-(4-tert-butylphenyl)-4-(furan-2-ylmethylsulfonyl)piperidine-1-carboxamide
CID 90590653
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 5154545
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide (CID 24730910) is N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC(S(=O)(=O)c3ccc(-c4ccco4)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide?
The InChIKey is VYAYXPSWMBMFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-2-18-5-9-20(10-6-18)25-24(27)26-15-13-22(14-16-26)31(28,29)21-11-7-19(8-12-21)23-4-3-17-30-23/h3-12,17,22H,2,13-16H2,1H3,(H,25,27).
What are the key properties of N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide?
N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[4-(furan-2-yl)phenyl]sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 24730910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).