(11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione

C23H28N6O3S — CID 162394910

IUPAC(11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione
SMILESCCN1C(=O)N(CC)C2Nn3c(s/c(=C4\C(=O)N(CC(C)(C)C)c5ccccc54)c3=O)=NC21
InChIInChI=1S/C23H28N6O3S/c1-6-26-17-18(27(7-2)22(26)32)25-29-20(31)16(33-21(29)24-17)15-13-10-8-9-11-14(13)28(19(15)30)12-23(3,4)5/h8-11,17-18,25H,6-7,12H2,1-5H3/b16-15-
InChIKeyUIPWOLSUQCTYKX-NXVVXOECSA-N
MW468.58 g/mol
LogP1.11
Rot. Bonds3

About (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione

(11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione (PubChem CID 162394910) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione.

Molecular Properties

Compound Name(11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione
PubChem CID162394910
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name(11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione
SMILESCCN1C(=O)N(CC)C2Nn3c(s/c(=C4\C(=O)N(CC(C)(C)C)c5ccccc54)c3=O)=NC21
InChIInChI=1S/C23H28N6O3S/c1-6-26-17-18(27(7-2)22(26)32)25-29-20(31)16(33-21(29)24-17)15-13-10-8-9-11-14(13)28(19(15)30)12-23(3,4)5/h8-11,17-18,25H,6-7,12H2,1-5H3/b16-15-
InChIKeyUIPWOLSUQCTYKX-NXVVXOECSA-N
XLogP1.11
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione?
The IUPAC name of (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione (CID 162394910) is (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione.
What is the SMILES notation for (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione?
The canonical SMILES for (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione is CCN1C(=O)N(CC)C2Nn3c(s/c(=C4\C(=O)N(CC(C)(C)C)c5ccccc54)c3=O)=NC21.
What is the InChIKey of (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione?
The InChIKey is UIPWOLSUQCTYKX-NXVVXOECSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-6-26-17-18(27(7-2)22(26)32)25-29-20(31)16(33-21(29)24-17)15-13-10-8-9-11-14(13)28(19(15)30)12-23(3,4)5/h8-11,17-18,25H,6-7,12H2,1-5H3/b16-15-.
What are the key properties of (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione?
(11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione has a molecular weight of 468.58 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-11-[1-(2,2-dimethylpropyl)-2-oxoindol-3-ylidene]-4,6-diethyl-10-thia-1,2,4,6,8-pentazatricyclo[7.3.0.03,7]dodec-8-ene-5,12-dione is sourced from PubChem (CID 162394910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).