CID 71468146

C24H30O2S — CID 71468146

IUPAC—
SMILESO=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CSCc1ccccc1
InChIInChI=1S/C24H30O2S/c25-22-18(15-27-14-16-4-2-1-3-5-16)17-6-8-23(10-11-23)19-7-9-24(12-13-24)20(19)21(17)26-22/h1-5,17-21H,6-15H2/t17-,18-,19+,20-,21-/m0/s1
InChIKeyLSJACNFLPSRKDY-WHZJULEDSA-N
MW382.57 g/mol
LogP5.46
Rot. Bonds4

About CID 71468146

CID 71468146 (PubChem CID 71468146) has the molecular formula C24H30O2S and a molecular weight of 382.57 g/mol.

Molecular Properties

Compound NameCID 71468146
PubChem CID71468146
Molecular FormulaC24H30O2S
Molecular Weight382.57 g/mol
Exact Mass382.20
IUPAC Name—
SMILESO=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CSCc1ccccc1
InChIInChI=1S/C24H30O2S/c25-22-18(15-27-14-16-4-2-1-3-5-16)17-6-8-23(10-11-23)19-7-9-24(12-13-24)20(19)21(17)26-22/h1-5,17-21H,6-15H2/t17-,18-,19+,20-,21-/m0/s1
InChIKeyLSJACNFLPSRKDY-WHZJULEDSA-N
XLogP5.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 71468146?
The IUPAC name of CID 71468146 (CID 71468146) is not available.
What is the SMILES notation for CID 71468146?
The canonical SMILES for CID 71468146 is O=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CSCc1ccccc1.
What is the InChIKey of CID 71468146?
The InChIKey is LSJACNFLPSRKDY-WHZJULEDSA-N. The full InChI is InChI=1S/C24H30O2S/c25-22-18(15-27-14-16-4-2-1-3-5-16)17-6-8-23(10-11-23)19-7-9-24(12-13-24)20(19)21(17)26-22/h1-5,17-21H,6-15H2/t17-,18-,19+,20-,21-/m0/s1.
What are the key properties of CID 71468146?
CID 71468146 has a molecular weight of 382.57 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71468146 is sourced from PubChem (CID 71468146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).