CID 102235701

C23H22N2O3S — CID 102235701

IUPAC—
SMILESCC(=O)C1=NN(c2ccccc2)[C@@]2(Oc3ccccc3C(=O)C23CCCCC3)S1
InChIInChI=1S/C23H22N2O3S/c1-16(26)21-24-25(17-10-4-2-5-11-17)23(29-21)22(14-8-3-9-15-22)20(27)18-12-6-7-13-19(18)28-23/h2,4-7,10-13H,3,8-9,14-15H2,1H3/t23-/m0/s1
InChIKeyHVFQXXWPRDSZMV-QHCPKHFHSA-N
MW406.51 g/mol
LogP5.02
Rot. Bonds2

About CID 102235701

CID 102235701 (PubChem CID 102235701) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol.

Molecular Properties

Compound NameCID 102235701
PubChem CID102235701
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name—
SMILESCC(=O)C1=NN(c2ccccc2)[C@@]2(Oc3ccccc3C(=O)C23CCCCC3)S1
InChIInChI=1S/C23H22N2O3S/c1-16(26)21-24-25(17-10-4-2-5-11-17)23(29-21)22(14-8-3-9-15-22)20(27)18-12-6-7-13-19(18)28-23/h2,4-7,10-13H,3,8-9,14-15H2,1H3/t23-/m0/s1
InChIKeyHVFQXXWPRDSZMV-QHCPKHFHSA-N
XLogP5.02
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 102235701?
The IUPAC name of CID 102235701 (CID 102235701) is not available.
What is the SMILES notation for CID 102235701?
The canonical SMILES for CID 102235701 is CC(=O)C1=NN(c2ccccc2)[C@@]2(Oc3ccccc3C(=O)C23CCCCC3)S1.
What is the InChIKey of CID 102235701?
The InChIKey is HVFQXXWPRDSZMV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16(26)21-24-25(17-10-4-2-5-11-17)23(29-21)22(14-8-3-9-15-22)20(27)18-12-6-7-13-19(18)28-23/h2,4-7,10-13H,3,8-9,14-15H2,1H3/t23-/m0/s1.
What are the key properties of CID 102235701?
CID 102235701 has a molecular weight of 406.51 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102235701 is sourced from PubChem (CID 102235701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).