CID 59990214

C24H44NO5S — CID 59990214

IUPAC—
SMILESCCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)SC[CH]C(N)=O
InChIInChI=1S/C24H44NO5S/c1-5-9-11-19(7-3)17-29-23(27)15-21(31-14-13-22(25)26)16-24(28)30-18-20(8-4)12-10-6-2/h13,19-21H,5-12,14-18H2,1-4H3,(H2,25,26)
InChIKeyDKMWTWKCUZJZSC-UHFFFAOYSA-N
MW458.69 g/mol
LogP5.08
Rot. Bonds20

About CID 59990214

CID 59990214 (PubChem CID 59990214) has the molecular formula C24H44NO5S and a molecular weight of 458.69 g/mol.

Molecular Properties

Compound NameCID 59990214
PubChem CID59990214
Molecular FormulaC24H44NO5S
Molecular Weight458.69 g/mol
Exact Mass458.29
IUPAC Name—
SMILESCCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)SC[CH]C(N)=O
InChIInChI=1S/C24H44NO5S/c1-5-9-11-19(7-3)17-29-23(27)15-21(31-14-13-22(25)26)16-24(28)30-18-20(8-4)12-10-6-2/h13,19-21H,5-12,14-18H2,1-4H3,(H2,25,26)
InChIKeyDKMWTWKCUZJZSC-UHFFFAOYSA-N
XLogP5.08
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze CID 59990214 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 59990214?
The IUPAC name of CID 59990214 (CID 59990214) is not available.
What is the SMILES notation for CID 59990214?
The canonical SMILES for CID 59990214 is CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)SC[CH]C(N)=O.
What is the InChIKey of CID 59990214?
The InChIKey is DKMWTWKCUZJZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44NO5S/c1-5-9-11-19(7-3)17-29-23(27)15-21(31-14-13-22(25)26)16-24(28)30-18-20(8-4)12-10-6-2/h13,19-21H,5-12,14-18H2,1-4H3,(H2,25,26).
What are the key properties of CID 59990214?
CID 59990214 has a molecular weight of 458.69 g/mol, XLogP of 5.08, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59990214 is sourced from PubChem (CID 59990214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).