CID 102235699

C24H24N2O4S — CID 102235699

IUPAC—
SMILESCCOC(=O)C1=NN(c2ccccc2)[C@@]2(Oc3ccccc3C(=O)C23CCCCC3)S1
InChIInChI=1S/C24H24N2O4S/c1-2-29-22(28)21-25-26(17-11-5-3-6-12-17)24(31-21)23(15-9-4-10-16-23)20(27)18-13-7-8-14-19(18)30-24/h3,5-8,11-14H,2,4,9-10,15-16H2,1H3/t24-/m0/s1
InChIKeyFPYPGNAALXLAKX-DEOSSOPVSA-N
MW436.53 g/mol
LogP5.00
Rot. Bonds3

About CID 102235699

CID 102235699 (PubChem CID 102235699) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol.

Molecular Properties

Compound NameCID 102235699
PubChem CID102235699
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name—
SMILESCCOC(=O)C1=NN(c2ccccc2)[C@@]2(Oc3ccccc3C(=O)C23CCCCC3)S1
InChIInChI=1S/C24H24N2O4S/c1-2-29-22(28)21-25-26(17-11-5-3-6-12-17)24(31-21)23(15-9-4-10-16-23)20(27)18-13-7-8-14-19(18)30-24/h3,5-8,11-14H,2,4,9-10,15-16H2,1H3/t24-/m0/s1
InChIKeyFPYPGNAALXLAKX-DEOSSOPVSA-N
XLogP5.00
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 102235699?
The IUPAC name of CID 102235699 (CID 102235699) is not available.
What is the SMILES notation for CID 102235699?
The canonical SMILES for CID 102235699 is CCOC(=O)C1=NN(c2ccccc2)[C@@]2(Oc3ccccc3C(=O)C23CCCCC3)S1.
What is the InChIKey of CID 102235699?
The InChIKey is FPYPGNAALXLAKX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-2-29-22(28)21-25-26(17-11-5-3-6-12-17)24(31-21)23(15-9-4-10-16-23)20(27)18-13-7-8-14-19(18)30-24/h3,5-8,11-14H,2,4,9-10,15-16H2,1H3/t24-/m0/s1.
What are the key properties of CID 102235699?
CID 102235699 has a molecular weight of 436.53 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102235699 is sourced from PubChem (CID 102235699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).