N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide

C19H23NO4S — CID 46987200

IUPACN-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide
SMILESCCOc1ccccc1CN(CC)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO4S/c1-4-20(14-16-8-6-7-9-18(16)24-5-2)19(21)15-10-12-17(13-11-15)25(3,22)23/h6-13H,4-5,14H2,1-3H3
InChIKeyBCAWHKOABNLKRC-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.15
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide

N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide (PubChem CID 46987200) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide
PubChem CID46987200
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide
SMILESCCOc1ccccc1CN(CC)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23NO4S/c1-4-20(14-16-8-6-7-9-18(16)24-5-2)19(21)15-10-12-17(13-11-15)25(3,22)23/h6-13H,4-5,14H2,1-3H3
InChIKeyBCAWHKOABNLKRC-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55594429
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53287191
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544
(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2603742
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide (CID 46987200) is N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide is CCOc1ccccc1CN(CC)C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide?
The InChIKey is BCAWHKOABNLKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-20(14-16-8-6-7-9-18(16)24-5-2)19(21)15-10-12-17(13-11-15)25(3,22)23/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide?
N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide has a molecular weight of 361.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 46987200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).