1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

C23H30N2O3S — CID 66485434

IUPAC1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN(S(=O)(=O)Cc3ccccc3C)C2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-16-12-18(3)22(19(4)13-16)24-23(26)20-10-7-11-25(14-20)29(27,28)15-21-9-6-5-8-17(21)2/h5-6,8-9,12-13,20H,7,10-11,14-15H2,1-4H3,(H,24,26)
InChIKeyUSZXDZFNRPWQGL-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.10
Rot. Bonds5

About 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (PubChem CID 66485434) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
PubChem CID66485434
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN(S(=O)(=O)Cc3ccccc3C)C2)c(C)c1
InChIInChI=1S/C23H30N2O3S/c1-16-12-18(3)22(19(4)13-16)24-23(26)20-10-7-11-25(14-20)29(27,28)15-21-9-6-5-8-17(21)2/h5-6,8-9,12-13,20H,7,10-11,14-15H2,1-4H3,(H,24,26)
InChIKeyUSZXDZFNRPWQGL-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3,5-dimethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641413
(3R)-N-(2,4-dimethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641406
N-(2,4-dimethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50808701
(3S)-N-(4-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641405
(3S)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641545
(3R)-N-(4-chlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641424
(3R)-N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641466
(3S)-N-(4-ethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641457
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641487
(3S)-N-(2,4-dimethoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641443
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
N-(4-ethoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50808871

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (CID 66485434) is 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CCCN(S(=O)(=O)Cc3ccccc3C)C2)c(C)c1.
What is the InChIKey of 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The InChIKey is USZXDZFNRPWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16-12-18(3)22(19(4)13-16)24-23(26)20-10-7-11-25(14-20)29(27,28)15-21-9-6-5-8-17(21)2/h5-6,8-9,12-13,20H,7,10-11,14-15H2,1-4H3,(H,24,26).
What are the key properties of 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide has a molecular weight of 414.57 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 66485434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).