N-(2-benzylsulfonylethyl)-2-ethoxybenzamide

C18H21NO4S — CID 47029439

IUPACN-(2-benzylsulfonylethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H21NO4S/c1-2-23-17-11-7-6-10-16(17)18(20)19-12-13-24(21,22)14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,19,20)
InChIKeyPTENPMQRZUZFRE-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.43
Rot. Bonds8

About N-(2-benzylsulfonylethyl)-2-ethoxybenzamide

N-(2-benzylsulfonylethyl)-2-ethoxybenzamide (PubChem CID 47029439) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2-benzylsulfonylethyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-benzylsulfonylethyl)-2-ethoxybenzamide
PubChem CID47029439
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(2-benzylsulfonylethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H21NO4S/c1-2-23-17-11-7-6-10-16(17)18(20)19-12-13-24(21,22)14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,19,20)
InChIKeyPTENPMQRZUZFRE-UHFFFAOYSA-N
XLogP2.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylsulfonylethyl)-2-chlorobenzamide
CID 47029455
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
N-(3-benzylsulfonylpropyl)-2-methylbenzamide
CID 47055994
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfonylethyl)-2-ethoxybenzamide?
The IUPAC name of N-(2-benzylsulfonylethyl)-2-ethoxybenzamide (CID 47029439) is N-(2-benzylsulfonylethyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-benzylsulfonylethyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-benzylsulfonylethyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-benzylsulfonylethyl)-2-ethoxybenzamide?
The InChIKey is PTENPMQRZUZFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-2-23-17-11-7-6-10-16(17)18(20)19-12-13-24(21,22)14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,19,20).
What are the key properties of N-(2-benzylsulfonylethyl)-2-ethoxybenzamide?
N-(2-benzylsulfonylethyl)-2-ethoxybenzamide has a molecular weight of 347.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfonylethyl)-2-ethoxybenzamide is sourced from PubChem (CID 47029439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).