2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide

C19H24N2O4S — CID 119306189

IUPAC2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
SMILESCN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(N)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-21(19(22)18(20)15-7-4-3-5-8-15)13-6-14-25-16-9-11-17(12-10-16)26(2,23)24/h3-5,7-12,18H,6,13-14,20H2,1-2H3
InChIKeyPBSUUSALCNTWEI-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.02
Rot. Bonds8

About 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide

2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide (PubChem CID 119306189) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
PubChem CID119306189
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
SMILESCN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(N)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-21(19(22)18(20)15-7-4-3-5-8-15)13-6-14-25-16-9-11-17(12-10-16)26(2,23)24/h3-5,7-12,18H,6,13-14,20H2,1-2H3
InChIKeyPBSUUSALCNTWEI-UHFFFAOYSA-N
XLogP2.02
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide 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

(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
CID 119753811
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-3-phenylpropanamide
CID 119950695
2-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]acetic acid
CID 119134958
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
2-[methyl-[2-(4-methylsulfonylphenoxy)ethyl]amino]propanoic acid
CID 119913162
4-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]butanoic acid
CID 119134959
5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
CID 120626191

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide (CID 119306189) is 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide is CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide?
The InChIKey is PBSUUSALCNTWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-21(19(22)18(20)15-7-4-3-5-8-15)13-6-14-25-16-9-11-17(12-10-16)26(2,23)24/h3-5,7-12,18H,6,13-14,20H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide?
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide is sourced from PubChem (CID 119306189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).