CID 118592465

C22H26N4O2S — CID 118592465

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cnc(C)s3)cc1[C@]21N=C(N)N(C)C1=O
InChIInChI=1S/C22H26N4O2S/c1-13-24-12-18(29-13)14-4-5-15-11-21(8-6-16(28-3)7-9-21)22(17(15)10-14)19(27)26(2)20(23)25-22/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,23,25)/t16?,21?,22-/m1/s1
InChIKeyRAMQFWJJXZGADF-UVOAEELBSA-N
MW410.54 g/mol
LogP3.23
Rot. Bonds2

About CID 118592465

CID 118592465 (PubChem CID 118592465) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol.

Molecular Properties

Compound NameCID 118592465
PubChem CID118592465
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cnc(C)s3)cc1[C@]21N=C(N)N(C)C1=O
InChIInChI=1S/C22H26N4O2S/c1-13-24-12-18(29-13)14-4-5-15-11-21(8-6-16(28-3)7-9-21)22(17(15)10-14)19(27)26(2)20(23)25-22/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,23,25)/t16?,21?,22-/m1/s1
InChIKeyRAMQFWJJXZGADF-UVOAEELBSA-N
XLogP3.23
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 118592465?
The IUPAC name of CID 118592465 (CID 118592465) is not available.
What is the SMILES notation for CID 118592465?
The canonical SMILES for CID 118592465 is COC1CCC2(CC1)Cc1ccc(-c3cnc(C)s3)cc1[C@]21N=C(N)N(C)C1=O.
What is the InChIKey of CID 118592465?
The InChIKey is RAMQFWJJXZGADF-UVOAEELBSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-13-24-12-18(29-13)14-4-5-15-11-21(8-6-16(28-3)7-9-21)22(17(15)10-14)19(27)26(2)20(23)25-22/h4-5,10,12,16H,6-9,11H2,1-3H3,(H2,23,25)/t16?,21?,22-/m1/s1.
What are the key properties of CID 118592465?
CID 118592465 has a molecular weight of 410.54 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118592465 is sourced from PubChem (CID 118592465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).