N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide

C17H26N2O4S — CID 110335470

IUPACN-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C17H26N2O4S/c1-13-4-5-14(2)16(12-13)18-17(20)15-6-8-19(9-7-15)24(21,22)11-10-23-3/h4-5,12,15H,6-11H2,1-3H3,(H,18,20)
InChIKeyXQXCWHGWCKKFKG-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.93
Rot. Bonds6

About N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide

N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide (PubChem CID 110335470) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
PubChem CID110335470
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
SMILESCOCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C17H26N2O4S/c1-13-4-5-14(2)16(12-13)18-17(20)15-6-8-19(9-7-15)24(21,22)11-10-23-3/h4-5,12,15H,6-11H2,1-3H3,(H,18,20)
InChIKeyXQXCWHGWCKKFKG-UHFFFAOYSA-N
XLogP1.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
N-(2-ethyl-6-methylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335478
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019725
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642541
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
1-(2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27240838
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642478
1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide
CID 90513449
1-[(4-bromophenyl)methyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 43919152
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
1-[(4-bromophenyl)methylsulfonyl]-N-(5-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 92676894

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide (CID 110335470) is N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide is COCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2C)CC1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide?
The InChIKey is XQXCWHGWCKKFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-4-5-14(2)16(12-13)18-17(20)15-6-8-19(9-7-15)24(21,22)11-10-23-3/h4-5,12,15H,6-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide?
N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 110335470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).