N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide

C20H25NO4S — CID 90598833

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1C
InChIInChI=1S/C20H25NO4S/c1-15-6-4-5-7-18(15)19(25-2)14-21-20(22)13-10-16-8-11-17(12-9-16)26(3,23)24/h4-9,11-12,19H,10,13-14H2,1-3H3,(H,21,22)
InChIKeyMVTWBMOPZIUIRR-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.84
Rot. Bonds8

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 90598833) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID90598833
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1C
InChIInChI=1S/C20H25NO4S/c1-15-6-4-5-7-18(15)19(25-2)14-21-20(22)13-10-16-8-11-17(12-9-16)26(3,23)24/h4-9,11-12,19H,10,13-14H2,1-3H3,(H,21,22)
InChIKeyMVTWBMOPZIUIRR-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)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

N-(2-(3-fluorophenyl)-2-methoxyethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 73168410
3-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
CID 90599180
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]3-(phenylthio)propionamide
CID 97553403
N-(2-methoxy-2-(o-tolyl)ethyl)-2-(thiophen-2-yl)acetamide
CID 71810462
N-(2-(2-chlorophenyl)-2-methoxyethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 76149832
N-(isochroman-3-ylmethyl)-N-methyl-3-(phenylsulfonyl)propanamide
CID 91626580
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(methylsulfonyl)phenyl)propanamide
CID 91631322
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]o-(methylthio)benzamide
CID 97417682
N-[(R)-2-methoxy-2-(o-tolyl)ethyl](benzylthio)acetamide
CID 97417698
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]p-(dimethylaminosulfonyl)benzamide
CID 97417728
N-[(R)-2-methoxy-2-phenylbutyl][p-(isopropylsulfonyl)phenyl]acetamide
CID 97428604
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]3-(phenylsulfonyl)propionamide
CID 97553626

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide (CID 90598833) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide is COC(CNC(=O)CCc1ccc(S(C)(=O)=O)cc1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is MVTWBMOPZIUIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15-6-4-5-7-18(15)19(25-2)14-21-20(22)13-10-16-8-11-17(12-9-16)26(3,23)24/h4-9,11-12,19H,10,13-14H2,1-3H3,(H,21,22).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 90598833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).