N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide

C16H25NO4S — CID 60571529

IUPACN-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO4S/c1-4-11-22(19,20)12-16(18)17-9-10-21-15-7-5-14(6-8-15)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,17,18)
InChIKeyXGLZXJKUVBSUIT-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.13
Rot. Bonds9

About N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide

N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide (PubChem CID 60571529) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide
PubChem CID60571529
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO4S/c1-4-11-22(19,20)12-16(18)17-9-10-21-15-7-5-14(6-8-15)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,17,18)
InChIKeyXGLZXJKUVBSUIT-UHFFFAOYSA-N
XLogP2.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761
2-(2-methoxyethylamino)-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 119735524
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
N-(3-hydroxypropyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 110487301
N-[2-(4-methylphenoxy)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 30213285
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
CID 119525765
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
3-bromo-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100329

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide?
The IUPAC name of N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide (CID 60571529) is N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide.
What is the SMILES notation for N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide?
The canonical SMILES for N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)NCCOc1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide?
The InChIKey is XGLZXJKUVBSUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-4-11-22(19,20)12-16(18)17-9-10-21-15-7-5-14(6-8-15)13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide?
N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide has a molecular weight of 327.45 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide is sourced from PubChem (CID 60571529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).