2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide

C18H22N2O3S — CID 8564163

IUPAC2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1S(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-3-20(13-15-9-5-4-6-10-15)14-18(21)19-16-11-7-8-12-17(16)24(2,22)23/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyJFHQICOFZRQJIY-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.55
Rot. Bonds7

About 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide

2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 8564163) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide
PubChem CID8564163
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1S(C)(=O)=O)Cc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-3-20(13-15-9-5-4-6-10-15)14-18(21)19-16-11-7-8-12-17(16)24(2,22)23/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyJFHQICOFZRQJIY-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8541330
2-[benzyl(ethyl)amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8547504
2-[benzyl(ethyl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 29231169
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460
2-[benzyl(ethyl)amino]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8533359
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 61450643
2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 47077896
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide (CID 8564163) is 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide is CCN(CC(=O)Nc1ccccc1S(C)(=O)=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is JFHQICOFZRQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-20(13-15-9-5-4-6-10-15)14-18(21)19-16-11-7-8-12-17(16)24(2,22)23/h4-12H,3,13-14H2,1-2H3,(H,19,21).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide?
2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8564163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).