CID 58520721

C17H20N2O3S — CID 58520721

IUPAC—
SMILESCNC(=O)[CH][CH][CH][CH][CH][CH][CH][CH][CH][CH]N1C(=O)CC(SC)C1=O
InChIInChI=1S/C17H20N2O3S/c1-18-15(20)11-9-7-5-3-4-6-8-10-12-19-16(21)13-14(23-2)17(19)22/h3-12,14H,13H2,1-2H3,(H,18,20)
InChIKeyUWGQGUASUBYERN-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.22
Rot. Bonds12

About CID 58520721

CID 58520721 (PubChem CID 58520721) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol.

Molecular Properties

Compound NameCID 58520721
PubChem CID58520721
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name—
SMILESCNC(=O)[CH][CH][CH][CH][CH][CH][CH][CH][CH][CH]N1C(=O)CC(SC)C1=O
InChIInChI=1S/C17H20N2O3S/c1-18-15(20)11-9-7-5-3-4-6-8-10-12-19-16(21)13-14(23-2)17(19)22/h3-12,14H,13H2,1-2H3,(H,18,20)
InChIKeyUWGQGUASUBYERN-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58520721?
The IUPAC name of CID 58520721 (CID 58520721) is not available.
What is the SMILES notation for CID 58520721?
The canonical SMILES for CID 58520721 is CNC(=O)[CH][CH][CH][CH][CH][CH][CH][CH][CH][CH]N1C(=O)CC(SC)C1=O.
What is the InChIKey of CID 58520721?
The InChIKey is UWGQGUASUBYERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-18-15(20)11-9-7-5-3-4-6-8-10-12-19-16(21)13-14(23-2)17(19)22/h3-12,14H,13H2,1-2H3,(H,18,20).
What are the key properties of CID 58520721?
CID 58520721 has a molecular weight of 332.43 g/mol, XLogP of 1.22, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58520721 is sourced from PubChem (CID 58520721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).