2-(2-benzylphenoxy)-N-methylsulfonylacetamide

C16H17NO4S — CID 134106534

IUPAC2-(2-benzylphenoxy)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-22(19,20)17-16(18)12-21-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyDYDCSIJBYXCQCX-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.73
Rot. Bonds6

About 2-(2-benzylphenoxy)-N-methylsulfonylacetamide

2-(2-benzylphenoxy)-N-methylsulfonylacetamide (PubChem CID 134106534) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-methylsulfonylacetamide
PubChem CID134106534
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-(2-benzylphenoxy)-N-methylsulfonylacetamide
SMILESCS(=O)(=O)NC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-22(19,20)17-16(18)12-21-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyDYDCSIJBYXCQCX-UHFFFAOYSA-N
XLogP1.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
N'-[2-(2-benzylphenoxy)acetyl]pentanehydrazide
CID 27225929
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
2-(2-benzylphenoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 29466113
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
2-(2-benzylphenoxy)-N-[4-(carbamoylamino)phenyl]acetamide
CID 33152514
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
N'-[2-(2-benzylphenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 7943215
2-(2-benzylphenoxy)-N-(3-ethoxypropyl)acetamide
CID 78760776
1-[[2-(2-benzylphenoxy)acetyl]amino]-3-tert-butylthiourea
CID 9425577

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-methylsulfonylacetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-methylsulfonylacetamide (CID 134106534) is 2-(2-benzylphenoxy)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-methylsulfonylacetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-methylsulfonylacetamide is CS(=O)(=O)NC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-methylsulfonylacetamide?
The InChIKey is DYDCSIJBYXCQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-22(19,20)17-16(18)12-21-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-(2-benzylphenoxy)-N-methylsulfonylacetamide?
2-(2-benzylphenoxy)-N-methylsulfonylacetamide has a molecular weight of 319.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-methylsulfonylacetamide is sourced from PubChem (CID 134106534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).