CID 59955500

C23H42NO5S — CID 59955500

IUPAC—
SMILESCCCCC(CC)COC(=O)CC(SC[CH]C(N)=O)C(=O)OCC(CC)CCCC
InChIInChI=1S/C23H42NO5S/c1-5-9-11-18(7-3)16-28-22(26)15-20(30-14-13-21(24)25)23(27)29-17-19(8-4)12-10-6-2/h13,18-20H,5-12,14-17H2,1-4H3,(H2,24,25)
InChIKeyMHAZLPSDEAYOLZ-UHFFFAOYSA-N
MW444.66 g/mol
LogP4.69
Rot. Bonds19

About CID 59955500

CID 59955500 (PubChem CID 59955500) has the molecular formula C23H42NO5S and a molecular weight of 444.66 g/mol.

Molecular Properties

Compound NameCID 59955500
PubChem CID59955500
Molecular FormulaC23H42NO5S
Molecular Weight444.66 g/mol
Exact Mass444.28
IUPAC Name—
SMILESCCCCC(CC)COC(=O)CC(SC[CH]C(N)=O)C(=O)OCC(CC)CCCC
InChIInChI=1S/C23H42NO5S/c1-5-9-11-18(7-3)16-28-22(26)15-20(30-14-13-21(24)25)23(27)29-17-19(8-4)12-10-6-2/h13,18-20H,5-12,14-17H2,1-4H3,(H2,24,25)
InChIKeyMHAZLPSDEAYOLZ-UHFFFAOYSA-N
XLogP4.69
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 59955500 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59955500?
The IUPAC name of CID 59955500 (CID 59955500) is not available.
What is the SMILES notation for CID 59955500?
The canonical SMILES for CID 59955500 is CCCCC(CC)COC(=O)CC(SC[CH]C(N)=O)C(=O)OCC(CC)CCCC.
What is the InChIKey of CID 59955500?
The InChIKey is MHAZLPSDEAYOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42NO5S/c1-5-9-11-18(7-3)16-28-22(26)15-20(30-14-13-21(24)25)23(27)29-17-19(8-4)12-10-6-2/h13,18-20H,5-12,14-17H2,1-4H3,(H2,24,25).
What are the key properties of CID 59955500?
CID 59955500 has a molecular weight of 444.66 g/mol, XLogP of 4.69, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59955500 is sourced from PubChem (CID 59955500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).