2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide

C11H16N2O4S — CID 60900367

IUPAC2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
SMILESCS(=O)(=O)c1ccc(C(O)CNCC(N)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-18(16,17)9-4-2-8(3-5-9)10(14)6-13-7-11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15)
InChIKeyPNTZGXZVPPFXAA-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.80
Rot. Bonds6

About 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide

2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide (PubChem CID 60900367) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
PubChem CID60900367
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
SMILESCS(=O)(=O)c1ccc(C(O)CNCC(N)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-18(16,17)9-4-2-8(3-5-9)10(14)6-13-7-11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15)
InChIKeyPNTZGXZVPPFXAA-UHFFFAOYSA-N
XLogP-0.80
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide
CID 112673881
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]-3-methylbutan-1-ol
CID 66090470
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 134298683
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115260140
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60901127

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide?
The IUPAC name of 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide (CID 60900367) is 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide?
The canonical SMILES for 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide is CS(=O)(=O)c1ccc(C(O)CNCC(N)=O)cc1.
What is the InChIKey of 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide?
The InChIKey is PNTZGXZVPPFXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-18(16,17)9-4-2-8(3-5-9)10(14)6-13-7-11(12)15/h2-5,10,13-14H,6-7H2,1H3,(H2,12,15).
What are the key properties of 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide?
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide has a molecular weight of 272.33 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 60900367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).