N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide

C20H25NO4S — CID 31795650

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO4S/c1-5-26(23,24)19-9-7-6-8-18(19)20(22)21(4)10-11-25-17-13-15(2)12-16(3)14-17/h6-9,12-14H,5,10-11H2,1-4H3
InChIKeyZSLCKWIXQSUWTQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide (PubChem CID 31795650) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
PubChem CID31795650
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C20H25NO4S/c1-5-26(23,24)19-9-7-6-8-18(19)20(22)21(4)10-11-25-17-13-15(2)12-16(3)14-17/h6-9,12-14H,5,10-11H2,1-4H3
InChIKeyZSLCKWIXQSUWTQ-UHFFFAOYSA-N
XLogP3.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide 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-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202478
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
CID 26995438
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 26995436
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
CID 55431085
2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide
CID 55435906
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544844
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 55521884
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide
CID 131951452

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide (CID 31795650) is N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)N(C)CCOc1cc(C)cc(C)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide?
The InChIKey is ZSLCKWIXQSUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-5-26(23,24)19-9-7-6-8-18(19)20(22)21(4)10-11-25-17-13-15(2)12-16(3)14-17/h6-9,12-14H,5,10-11H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide has a molecular weight of 375.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide is sourced from PubChem (CID 31795650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).