2-(tetracosylsulfonylamino)acetic acid

C26H53NO4S — CID 101284702

IUPAC2-(tetracosylsulfonylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C26H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32(30,31)27-25-26(28)29/h27H,2-25H2,1H3,(H,28,29)
InChIKeyRTYPIKFIVYARNL-UHFFFAOYSA-N
MW475.78 g/mol
LogP7.59
Rot. Bonds26

About 2-(tetracosylsulfonylamino)acetic acid

2-(tetracosylsulfonylamino)acetic acid (PubChem CID 101284702) has the molecular formula C26H53NO4S and a molecular weight of 475.78 g/mol. Its IUPAC name is 2-(tetracosylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(tetracosylsulfonylamino)acetic acid
PubChem CID101284702
Molecular FormulaC26H53NO4S
Molecular Weight475.78 g/mol
Exact Mass475.37
IUPAC Name2-(tetracosylsulfonylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C26H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32(30,31)27-25-26(28)29/h27H,2-25H2,1H3,(H,28,29)
InChIKeyRTYPIKFIVYARNL-UHFFFAOYSA-N
XLogP7.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.78
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(nonylsulfonylamino)acetic acid
CID 4052547
calcium bis(2-(nonylsulfonylamino)acetate)
CID 101284777
potassium 2-(dodecylsulfonylamino)acetate
CID 101284750
calcium bis(2-(dodecylsulfonylamino)acetate)
CID 101284783
sodium 2-(nonadecylsulfonylamino)acetate
CID 101284691
sodium 2-(heptadecylsulfonylamino)acetate
CID 101284688
potassium 2-(docosylsulfonylamino)acetate
CID 101284759
calcium bis(2-(heptadecylsulfonylamino)acetate)
CID 101284788
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852
11-(octylsulfonylamino)undecanoic acid
CID 4605614
2-(decylsulfonylamino)ethylcarbamic acid
CID 90012721
(E)-10-(hexylsulfamoyl)dec-3-enoic acid
CID 90060320

Frequently Asked Questions

What is the IUPAC name of 2-(tetracosylsulfonylamino)acetic acid?
The IUPAC name of 2-(tetracosylsulfonylamino)acetic acid (CID 101284702) is 2-(tetracosylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(tetracosylsulfonylamino)acetic acid?
The canonical SMILES for 2-(tetracosylsulfonylamino)acetic acid is CCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-(tetracosylsulfonylamino)acetic acid?
The InChIKey is RTYPIKFIVYARNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32(30,31)27-25-26(28)29/h27H,2-25H2,1H3,(H,28,29).
What are the key properties of 2-(tetracosylsulfonylamino)acetic acid?
2-(tetracosylsulfonylamino)acetic acid has a molecular weight of 475.78 g/mol, XLogP of 7.59, 26 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetracosylsulfonylamino)acetic acid is sourced from PubChem (CID 101284702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).