3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide

C20H26N2O4S — CID 119950695

IUPAC3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide
SMILESCN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-22(20(23)15-19(21)16-8-4-3-5-9-16)12-7-13-26-17-10-6-11-18(14-17)27(2,24)25/h3-6,8-11,14,19H,7,12-13,15,21H2,1-2H3
InChIKeyAYCYJSNKDVCMNL-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.41
Rot. Bonds9

About 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide

3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide (PubChem CID 119950695) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide
PubChem CID119950695
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide
SMILESCN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-22(20(23)15-19(21)16-8-4-3-5-9-16)12-7-13-26-17-10-6-11-18(14-17)27(2,24)25/h3-6,8-11,14,19H,7,12-13,15,21H2,1-2H3
InChIKeyAYCYJSNKDVCMNL-UHFFFAOYSA-N
XLogP2.41
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]butanamide
CID 49009562
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
(2S)-2-amino-N,4-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119753772
2-(4-aminophenyl)-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]acetamide;hydrochloride
CID 119753730
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
CID 119306189
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119753734
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119753738
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide (CID 119950695) is 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide is CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide?
The InChIKey is AYCYJSNKDVCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-22(20(23)15-19(21)16-8-4-3-5-9-16)12-7-13-26-17-10-6-11-18(14-17)27(2,24)25/h3-6,8-11,14,19H,7,12-13,15,21H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide?
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide has a molecular weight of 390.51 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119950695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).