N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

C16H24N2O3S — CID 17027084

IUPACN-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-4-22(20,21)18-9-7-14(8-10-18)16(19)17-15-6-5-12(2)11-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyQDTHRQRTQCXESY-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.30
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 17027084) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID17027084
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-4-22(20,21)18-9-7-14(8-10-18)16(19)17-15-6-5-12(2)11-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyQDTHRQRTQCXESY-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810593
N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113006355
N-(2,4-dimethylphenyl)-4-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 157168995
N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335470
ethyl 4-[4-[(2,4-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938257
N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 28550703

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 17027084) is N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is QDTHRQRTQCXESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-22(20,21)18-9-7-14(8-10-18)16(19)17-15-6-5-12(2)11-13(15)3/h5-6,11,14H,4,7-10H2,1-3H3,(H,17,19).
What are the key properties of N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17027084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).