N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide

C17H20N2O3S — CID 110436877

IUPACN-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-19(12-9-14-7-10-18-11-8-14)17(20)13-15-5-3-4-6-16(15)23(2,21)22/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyZGQJISWYXJCKQT-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.73
Rot. Bonds6

About N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide

N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110436877) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110436877
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S/c1-19(12-9-14-7-10-18-11-8-14)17(20)13-15-5-3-4-6-16(15)23(2,21)22/h3-8,10-11H,9,12-13H2,1-2H3
InChIKeyZGQJISWYXJCKQT-UHFFFAOYSA-N
XLogP1.73
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948933

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide (CID 110436877) is N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)Cc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is ZGQJISWYXJCKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-19(12-9-14-7-10-18-11-8-14)17(20)13-15-5-3-4-6-16(15)23(2,21)22/h3-8,10-11H,9,12-13H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide?
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110436877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).