2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide

C11H16N2O3S — CID 115260140

IUPAC2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
SMILESCS(=O)(=O)c1ccc(CCNCC(N)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-17(15,16)10-4-2-9(3-5-10)6-7-13-8-11(12)14/h2-5,13H,6-8H2,1H3,(H2,12,14)
InChIKeyKLXCJKDGEHWDFE-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.29
Rot. Bonds6

About 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide

2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide (PubChem CID 115260140) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
PubChem CID115260140
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
SMILESCS(=O)(=O)c1ccc(CCNCC(N)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-17(15,16)10-4-2-9(3-5-10)6-7-13-8-11(12)14/h2-5,13H,6-8H2,1H3,(H2,12,14)
InChIKeyKLXCJKDGEHWDFE-UHFFFAOYSA-N
XLogP-0.29
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-methylsulfonylphenyl)ethyl]ethane-1,2-diamine
CID 115195453
4-(4-methylsulfonylphenyl)butanamide
CID 66848825
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
2-[2-(6-methylnaphthalen-2-yl)ethylamino]acetamide
CID 115260174
2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 96676880
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
N-ethyl-3-(4-methylsulfonylphenyl)propan-1-amine
CID 98015477
1-[2-(4-methylsulfonylphenyl)ethyl]-2-propylguanidine;hydroiodide
CID 111815183
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
CID 43662654
2-chloro-2,2-difluoro-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 91661460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide?
The IUPAC name of 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide (CID 115260140) is 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide is CS(=O)(=O)c1ccc(CCNCC(N)=O)cc1.
What is the InChIKey of 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide?
The InChIKey is KLXCJKDGEHWDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-17(15,16)10-4-2-9(3-5-10)6-7-13-8-11(12)14/h2-5,13H,6-8H2,1H3,(H2,12,14).
What are the key properties of 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide?
2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide has a molecular weight of 256.33 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide is sourced from PubChem (CID 115260140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).