2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide

C15H23NO5S — CID 55435906

IUPAC2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(CCOC)CCOC
InChIInChI=1S/C15H23NO5S/c1-4-22(18,19)14-8-6-5-7-13(14)15(17)16(9-11-20-2)10-12-21-3/h5-8H,4,9-12H2,1-3H3
InChIKeyLNWFJSNPDLMBSE-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.22
Rot. Bonds9

About 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide

2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 55435906) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide
PubChem CID55435906
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(CCOC)CCOC
InChIInChI=1S/C15H23NO5S/c1-4-22(18,19)14-8-6-5-7-13(14)15(17)16(9-11-20-2)10-12-21-3/h5-8H,4,9-12H2,1-3H3
InChIKeyLNWFJSNPDLMBSE-UHFFFAOYSA-N
XLogP1.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
N-ethyl-2-ethylsulfonyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79377923
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
2-[2-[ethyl(2-methoxyethyl)carbamoyl]phenyl]acetic acid
CID 114199797
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
2-hydroxy-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 60653742
N-ethyl-N-(2-methoxyethyl)-2-(propylamino)benzamide
CID 55047435
2-ethylsulfonylbenzoyl chloride
CID 18978016
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide (CID 55435906) is 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)N(CCOC)CCOC.
What is the InChIKey of 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is LNWFJSNPDLMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-4-22(18,19)14-8-6-5-7-13(14)15(17)16(9-11-20-2)10-12-21-3/h5-8H,4,9-12H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide?
2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 329.42 g/mol, XLogP of 1.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 55435906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).