CID 110211884

C20H22ClN3O2S — CID 110211884

IUPAC—
SMILESO=C1NC2(COC3(CCN(Cc4cccs4)CC3)C2)Nc2ccc(Cl)cc21
InChIInChI=1S/C20H22ClN3O2S/c21-14-3-4-17-16(10-14)18(25)23-20(22-17)12-19(26-13-20)5-7-24(8-6-19)11-15-2-1-9-27-15/h1-4,9-10,22H,5-8,11-13H2,(H,23,25)
InChIKeyQMDSJYNCCJELKS-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.71
Rot. Bonds2

About CID 110211884

CID 110211884 (PubChem CID 110211884) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol.

Molecular Properties

Compound NameCID 110211884
PubChem CID110211884
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name—
SMILESO=C1NC2(COC3(CCN(Cc4cccs4)CC3)C2)Nc2ccc(Cl)cc21
InChIInChI=1S/C20H22ClN3O2S/c21-14-3-4-17-16(10-14)18(25)23-20(22-17)12-19(26-13-20)5-7-24(8-6-19)11-15-2-1-9-27-15/h1-4,9-10,22H,5-8,11-13H2,(H,23,25)
InChIKeyQMDSJYNCCJELKS-UHFFFAOYSA-N
XLogP3.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110211760
6-chloro-1'-(2-phenylacetyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
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Frequently Asked Questions

What is the IUPAC name of CID 110211884?
The IUPAC name of CID 110211884 (CID 110211884) is not available.
What is the SMILES notation for CID 110211884?
The canonical SMILES for CID 110211884 is O=C1NC2(COC3(CCN(Cc4cccs4)CC3)C2)Nc2ccc(Cl)cc21.
What is the InChIKey of CID 110211884?
The InChIKey is QMDSJYNCCJELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c21-14-3-4-17-16(10-14)18(25)23-20(22-17)12-19(26-13-20)5-7-24(8-6-19)11-15-2-1-9-27-15/h1-4,9-10,22H,5-8,11-13H2,(H,23,25).
What are the key properties of CID 110211884?
CID 110211884 has a molecular weight of 403.94 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110211884 is sourced from PubChem (CID 110211884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).