2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

C19H23NO4S — CID 51241861

IUPAC2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C19H23NO4S/c1-4-25(22,23)18-11-6-5-10-17(18)19(21)20(3)12-13-24-16-9-7-8-15(2)14-16/h5-11,14H,4,12-13H2,1-3H3
InChIKeyLCDPURFCVRBZQT-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.94
Rot. Bonds7

About 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 51241861) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID51241861
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C19H23NO4S/c1-4-25(22,23)18-11-6-5-10-17(18)19(21)20(3)12-13-24-16-9-7-8-15(2)14-16/h5-11,14H,4,12-13H2,1-3H3
InChIKeyLCDPURFCVRBZQT-UHFFFAOYSA-N
XLogP2.94
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 24517235
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide
CID 55440414
2-(2-methoxyanilino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 31667067
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 51241861) is 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)N(C)CCOc1cccc(C)c1.
What is the InChIKey of 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is LCDPURFCVRBZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-25(22,23)18-11-6-5-10-17(18)19(21)20(3)12-13-24-16-9-7-8-15(2)14-16/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 361.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 51241861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).