2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide

C14H22N2O4S — CID 119777480

IUPAC2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide
SMILESCNCC(C)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(10-15-2)14(17)16-8-9-20-12-4-6-13(7-5-12)21(3,18)19/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyNNWOLIXJEUPPBK-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.44
Rot. Bonds8

About 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide

2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide (PubChem CID 119777480) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide
PubChem CID119777480
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide
SMILESCNCC(C)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-11(10-15-2)14(17)16-8-9-20-12-4-6-13(7-5-12)21(3,18)19/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyNNWOLIXJEUPPBK-UHFFFAOYSA-N
XLogP0.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(methylamino)-N-[2-(4-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119681162
2-methyl-3-(methylamino)-N-[4-(4-methylphenoxy)butyl]propanamide;hydrochloride
CID 119722678
1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119320030
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
N-[3-(3,5-dimethoxyphenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119820871
N-[2-(4-aminophenoxy)ethyl]-2-methylsulfonylpropanamide
CID 104517296
N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119997074
2-methyl-1-[2-(4-methylsulfonylphenoxy)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472101
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
N-[(2S)-3-methylbutan-2-yl]-4-(4-methylsulfonylphenoxy)butanamide
CID 94813249
2-(ethylamino)-4-(4-methylsulfonylphenoxy)butanoic acid
CID 63035311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide (CID 119777480) is 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide is CNCC(C)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide?
The InChIKey is NNWOLIXJEUPPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11(10-15-2)14(17)16-8-9-20-12-4-6-13(7-5-12)21(3,18)19/h4-7,11,15H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide?
2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide has a molecular weight of 314.41 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide is sourced from PubChem (CID 119777480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).