propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

C16H25NO4S — CID 78846405

IUPACpropyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCCCOC(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO4S/c1-6-9-21-15(18)7-8-17-22(19,20)16-13(4)11(2)10-12(3)14(16)5/h10,17H,6-9H2,1-5H3
InChIKeyGPZCTXAKNYGIPM-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.54
Rot. Bonds7

About propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (PubChem CID 78846405) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namepropyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
PubChem CID78846405
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Namepropyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCCCOC(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H25NO4S/c1-6-9-21-15(18)7-8-17-22(19,20)16-13(4)11(2)10-12(3)14(16)5/h10,17H,6-9H2,1-5H3
InChIKeyGPZCTXAKNYGIPM-UHFFFAOYSA-N
XLogP2.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7828802
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7828808
(4-nitrophenyl)methyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7828815
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 2437240
N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 19681252
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
3-(benzenesulfonyl)propyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate
CID 55821584
N-[3-(3-ethylsulfonylazetidin-1-yl)-3-oxopropyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121164360
4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441797
3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
CID 106503609
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate
CID 55467634

Frequently Asked Questions

What is the IUPAC name of propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The IUPAC name of propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (CID 78846405) is propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is CCCOC(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The InChIKey is GPZCTXAKNYGIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-6-9-21-15(18)7-8-17-22(19,20)16-13(4)11(2)10-12(3)14(16)5/h10,17H,6-9H2,1-5H3.
What are the key properties of propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate has a molecular weight of 327.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 78846405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).