CID 102357049

C26H24NOS — CID 102357049

IUPAC—
SMILESCC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2cccs2)cc1-c1ccccc1
InChIInChI=1S/C26H24NOS/c1-26(2,3)28-27-25-22(19-11-6-4-7-12-19)17-21(24-15-10-16-29-24)18-23(25)20-13-8-5-9-14-20/h4-18H,1-3H3
InChIKeyDQPYUDBYRAJBOF-UHFFFAOYSA-N
MW398.55 g/mol
LogP7.72
Rot. Bonds5

About CID 102357049

CID 102357049 (PubChem CID 102357049) has the molecular formula C26H24NOS and a molecular weight of 398.55 g/mol.

Molecular Properties

Compound NameCID 102357049
PubChem CID102357049
Molecular FormulaC26H24NOS
Molecular Weight398.55 g/mol
Exact Mass398.16
IUPAC Name—
SMILESCC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2cccs2)cc1-c1ccccc1
InChIInChI=1S/C26H24NOS/c1-26(2,3)28-27-25-22(19-11-6-4-7-12-19)17-21(24-15-10-16-29-24)18-23(25)20-13-8-5-9-14-20/h4-18H,1-3H3
InChIKeyDQPYUDBYRAJBOF-UHFFFAOYSA-N
XLogP7.72
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 102357049?
The IUPAC name of CID 102357049 (CID 102357049) is not available.
What is the SMILES notation for CID 102357049?
The canonical SMILES for CID 102357049 is CC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2cccs2)cc1-c1ccccc1.
What is the InChIKey of CID 102357049?
The InChIKey is DQPYUDBYRAJBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NOS/c1-26(2,3)28-27-25-22(19-11-6-4-7-12-19)17-21(24-15-10-16-29-24)18-23(25)20-13-8-5-9-14-20/h4-18H,1-3H3.
What are the key properties of CID 102357049?
CID 102357049 has a molecular weight of 398.55 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102357049 is sourced from PubChem (CID 102357049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).