2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C19H23NO4S — CID 51212488

IUPAC2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C19H23NO4S/c1-5-25(22,23)18-9-7-6-8-15(18)19(21)20-14(3)16-12-13(2)10-11-17(16)24-4/h6-12,14H,5H2,1-4H3,(H,20,21)
InChIKeyOLMWOYXMJMUFGC-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.29
Rot. Bonds6

About 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 51212488) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID51212488
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C19H23NO4S/c1-5-25(22,23)18-9-7-6-8-15(18)19(21)20-14(3)16-12-13(2)10-11-17(16)24-4/h6-12,14H,5H2,1-4H3,(H,20,21)
InChIKeyOLMWOYXMJMUFGC-UHFFFAOYSA-N
XLogP3.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide
CID 51956574
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 41277485
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
5-iodo-N-[1-(2-methoxy-5-methylphenyl)ethyl]thiophene-3-carboxamide
CID 78948546
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 51212488) is 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)NC(C)c1cc(C)ccc1OC.
What is the InChIKey of 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is OLMWOYXMJMUFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-5-25(22,23)18-9-7-6-8-15(18)19(21)20-14(3)16-12-13(2)10-11-17(16)24-4/h6-12,14H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 361.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 51212488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).