N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C15H22N2O3S — CID 891722

IUPACN-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O3S/c1-3-12-6-4-5-7-14(12)16-15(18)13-8-10-17(11-9-13)21(2,19)20/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyDUWZUQIFCFVEKX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.86
Rot. Bonds4

About N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 891722) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID891722
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O3S/c1-3-12-6-4-5-7-14(12)16-15(18)13-8-10-17(11-9-13)21(2,19)20/h4-7,13H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyDUWZUQIFCFVEKX-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892323
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2990495
N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2991521
N-(3,4-difluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 19583486
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 892073
N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893951
N-Ethyl-N-(2-hydroxy-quinolin-4-ylmethyl)-isobutyramide
CID 945517
N-(4-chloro-2-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081267
N-(2,3-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081280
N-(3-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081283

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 891722) is N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is CCc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DUWZUQIFCFVEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-12-6-4-5-7-14(12)16-15(18)13-8-10-17(11-9-13)21(2,19)20/h4-7,13H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 891722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).