CID 122226472

C20H18N2O3S — CID 122226472

IUPAC—
SMILESCN1C(=O)[C@]2(SC[C@H](O)[C@]23C(=O)N(C)c2ccccc23)c2ccccc21
InChIInChI=1S/C20H18N2O3S/c1-21-14-9-5-3-7-12(14)19(17(21)24)16(23)11-26-20(19)13-8-4-6-10-15(13)22(2)18(20)25/h3-10,16,23H,11H2,1-2H3/t16-,19+,20+/m0/s1
InChIKeyWDKZQIHJWAKCBI-PWIZWCRZSA-N
MW366.44 g/mol
LogP1.88
Rot. Bonds

About CID 122226472

CID 122226472 (PubChem CID 122226472) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol.

Molecular Properties

Compound NameCID 122226472
PubChem CID122226472
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name—
SMILESCN1C(=O)[C@]2(SC[C@H](O)[C@]23C(=O)N(C)c2ccccc23)c2ccccc21
InChIInChI=1S/C20H18N2O3S/c1-21-14-9-5-3-7-12(14)19(17(21)24)16(23)11-26-20(19)13-8-4-6-10-15(13)22(2)18(20)25/h3-10,16,23H,11H2,1-2H3/t16-,19+,20+/m0/s1
InChIKeyWDKZQIHJWAKCBI-PWIZWCRZSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 122226472?
The IUPAC name of CID 122226472 (CID 122226472) is not available.
What is the SMILES notation for CID 122226472?
The canonical SMILES for CID 122226472 is CN1C(=O)[C@]2(SC[C@H](O)[C@]23C(=O)N(C)c2ccccc23)c2ccccc21.
What is the InChIKey of CID 122226472?
The InChIKey is WDKZQIHJWAKCBI-PWIZWCRZSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-21-14-9-5-3-7-12(14)19(17(21)24)16(23)11-26-20(19)13-8-4-6-10-15(13)22(2)18(20)25/h3-10,16,23H,11H2,1-2H3/t16-,19+,20+/m0/s1.
What are the key properties of CID 122226472?
CID 122226472 has a molecular weight of 366.44 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122226472 is sourced from PubChem (CID 122226472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).