N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C15H22N2O3S — CID 17463207

IUPACN-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-4-12-8-5-7-11(2)14(12)16-15(18)13-9-6-10-17(13)21(3,19)20/h5,7-8,13H,4,6,9-10H2,1-3H3,(H,16,18)
InChIKeyHESCGYARTRNCBM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.92
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 17463207) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID17463207
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-4-12-8-5-7-11(2)14(12)16-15(18)13-9-6-10-17(13)21(3,19)20/h5,7-8,13H,4,6,9-10H2,1-3H3,(H,16,18)
InChIKeyHESCGYARTRNCBM-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093475
1-(benzenesulfonyl)-N-(2-ethyl-6-methylphenyl)piperidine-2-carboxamide
CID 5003756
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 17412470
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 40879870
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55522001
N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731
(3R)-1-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 94011647
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
N-(3,5-dichlorophenyl)-1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55627894
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 17463207) is N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CCc1cccc(C)c1NC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is HESCGYARTRNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-12-8-5-7-11(2)14(12)16-15(18)13-9-6-10-17(13)21(3,19)20/h5,7-8,13H,4,6,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 17463207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).