2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C14H26N2O5S — CID 10131761

IUPAC2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCCCCCCCCNS(=O)(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H26N2O5S/c1-2-3-4-5-6-7-9-15-22(19,20)11-13(17)16-12-8-10-21-14(12)18/h12,15H,2-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyUWHURTPIENKJFJ-LBPRGKRZSA-N
MW334.44 g/mol
LogP0.70
Rot. Bonds11

About 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 10131761) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID10131761
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCCCCCCCCNS(=O)(=O)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C14H26N2O5S/c1-2-3-4-5-6-7-9-15-22(19,20)11-13(17)16-12-8-10-21-14(12)18/h12,15H,2-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyUWHURTPIENKJFJ-LBPRGKRZSA-N
XLogP0.70
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 10131761) is 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is CCCCCCCCNS(=O)(=O)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is UWHURTPIENKJFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-2-3-4-5-6-7-9-15-22(19,20)11-13(17)16-12-8-10-21-14(12)18/h12,15H,2-11H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 0.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octylsulfamoyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 10131761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).