N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide

C20H25NO4S — CID 26995436

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C20H25NO4S/c1-15-10-16(2)12-19(11-15)25-9-8-21(3)20(22)18-7-5-6-17(13-18)14-26(4,23)24/h5-7,10-13H,8-9,14H2,1-4H3
InChIKeyOGAWDNAIPJFFBV-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.00
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide (PubChem CID 26995436) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
PubChem CID26995436
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)c1
InChIInChI=1S/C20H25NO4S/c1-15-10-16(2)12-19(11-15)25-9-8-21(3)20(22)18-7-5-6-17(13-18)14-26(4,23)24/h5-7,10-13H,8-9,14H2,1-4H3
InChIKeyOGAWDNAIPJFFBV-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
N-[2-(3-methylphenoxy)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27859309
N-[3-(3-methylphenoxy)propyl]-3-(methylsulfonylmethyl)benzamide
CID 27040363
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650177
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
CID 26995438
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
CID 55431085
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426086
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide
CID 134044870

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide (CID 26995436) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide is Cc1cc(C)cc(OCCN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide?
The InChIKey is OGAWDNAIPJFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15-10-16(2)12-19(11-15)25-9-8-21(3)20(22)18-7-5-6-17(13-18)14-26(4,23)24/h5-7,10-13H,8-9,14H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.00, 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]-N-methyl-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 26995436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).