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

C13H20N2O4S — CID 60909521

IUPAC4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
SMILESCS(=O)(=O)c1ccc(C(O)CNCCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-20(18,19)11-6-4-10(5-7-11)12(16)9-15-8-2-3-13(14)17/h4-7,12,15-16H,2-3,8-9H2,1H3,(H2,14,17)
InChIKeyJEYNDXRHNJHONV-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.02
Rot. Bonds8

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

4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide (PubChem CID 60909521) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
PubChem CID60909521
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
SMILESCS(=O)(=O)c1ccc(C(O)CNCCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-20(18,19)11-6-4-10(5-7-11)12(16)9-15-8-2-3-13(14)17/h4-7,12,15-16H,2-3,8-9H2,1H3,(H2,14,17)
InChIKeyJEYNDXRHNJHONV-UHFFFAOYSA-N
XLogP-0.02
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937560
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]oxyacetamide
CID 112673881
3-(2-aminoethylamino)-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69313503
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
2-chloro-2-hydroxy-N-[(2R)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 134298683
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide?
The IUPAC name of 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide (CID 60909521) is 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide.
What is the SMILES notation for 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide?
The canonical SMILES for 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide is CS(=O)(=O)c1ccc(C(O)CNCCCC(N)=O)cc1.
What is the InChIKey of 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide?
The InChIKey is JEYNDXRHNJHONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-20(18,19)11-6-4-10(5-7-11)12(16)9-15-8-2-3-13(14)17/h4-7,12,15-16H,2-3,8-9H2,1H3,(H2,14,17).
What are the key properties of 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide?
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide has a molecular weight of 300.38 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide is sourced from PubChem (CID 60909521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).