N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide

C14H20N2O3S — CID 110196138

IUPACN-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-3-5-13(6-4-11)15-14(17)9-12-7-8-16(10-12)20(2,18)19/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyOTWDGHCSEAZFPG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.61
Rot. Bonds4

About N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide

N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide (PubChem CID 110196138) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide
PubChem CID110196138
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-3-5-13(6-4-11)15-14(17)9-12-7-8-16(10-12)20(2,18)19/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyOTWDGHCSEAZFPG-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.61
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-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893951
N-(2,3-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081280
N-(4-carbamoylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081285
N-(1-Methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-N-p-tolyl-methanesulfonamide
CID 3158631
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651502
1-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 89701093
N-(4-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 900325
N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 646174
1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (4-ethyl-phenyl)-amide
CID 647475

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide (CID 110196138) is N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide is Cc1ccc(NC(=O)CC2CCN(S(C)(=O)=O)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
The InChIKey is OTWDGHCSEAZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-3-5-13(6-4-11)15-14(17)9-12-7-8-16(10-12)20(2,18)19/h3-6,12H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide?
N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(1-methylsulfonylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110196138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).