N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C27H32N2O3S — CID 44591958

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc4ccccc34)CC2)c(C)c1
InChIInChI=1S/C27H32N2O3S/c1-18-16-19(2)26(20(3)17-18)33(31,32)29-14-12-23(13-15-29)27(30)28-21(4)24-11-7-9-22-8-5-6-10-25(22)24/h5-11,16-17,21,23H,12-15H2,1-4H3,(H,28,30)/t21-/m1/s1
InChIKeyPZIOHPWMXAUPRV-OAQYLSRUSA-N
MW464.63 g/mol
LogP5.04
Rot. Bonds5

About N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 44591958) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID44591958
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc4ccccc34)CC2)c(C)c1
InChIInChI=1S/C27H32N2O3S/c1-18-16-19(2)26(20(3)17-18)33(31,32)29-14-12-23(13-15-29)27(30)28-21(4)24-11-7-9-22-8-5-6-10-25(22)24/h5-11,16-17,21,23H,12-15H2,1-4H3,(H,28,30)/t21-/m1/s1
InChIKeyPZIOHPWMXAUPRV-OAQYLSRUSA-N
XLogP5.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1090427
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
1-(2,2-dimethylpropanoyl)-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 46809447
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 17481326
1-(2,6-dichlorophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577188
N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 55349850
N-[3-oxo-3-(propan-2-ylamino)propyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55599753
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28565359
N-[(1-phenylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46403152
N-[(4-propan-2-yloxyphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55588225

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 44591958) is N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc4ccccc34)CC2)c(C)c1.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PZIOHPWMXAUPRV-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-18-16-19(2)26(20(3)17-18)33(31,32)29-14-12-23(13-15-29)27(30)28-21(4)24-11-7-9-22-8-5-6-10-25(22)24/h5-11,16-17,21,23H,12-15H2,1-4H3,(H,28,30)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 464.63 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 44591958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).