N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide

C18H21NO3S — CID 17309418

IUPACN-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-3-19(13-16-7-5-4-6-8-16)18(20)14-23(21,22)17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3
InChIKeyDEPIVOWMAZCAJW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.82
Rot. Bonds6

About N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide

N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 17309418) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide
PubChem CID17309418
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-3-19(13-16-7-5-4-6-8-16)18(20)14-23(21,22)17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3
InChIKeyDEPIVOWMAZCAJW-UHFFFAOYSA-N
XLogP2.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
CID 78782531
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 55303965
2-(4-methylphenyl)sulfonyl-N,N-dipropylacetamide
CID 17309433
2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide
CID 3265558
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
3-benzyl-4-hydroxy-1-(4-methylphenyl)sulfonylbutan-2-one
CID 101107104
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide (CID 17309418) is N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide is CCN(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is DEPIVOWMAZCAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-19(13-16-7-5-4-6-8-16)18(20)14-23(21,22)17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide?
N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 17309418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).