6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one

C23H24N2O2S — CID 139565104

IUPAC6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCN1CCN(Sc2ccc3c(c2)C(C)(C)c2oc4ccccc4c2C3=O)CC1
InChIInChI=1S/C23H24N2O2S/c1-23(2)18-14-15(28-25-12-10-24(3)11-13-25)8-9-16(18)21(26)20-17-6-4-5-7-19(17)27-22(20)23/h4-9,14H,10-13H2,1-3H3
InChIKeyUPRLRXDAJABDAU-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.56
Rot. Bonds2

About 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one

6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 139565104) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one
PubChem CID139565104
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCN1CCN(Sc2ccc3c(c2)C(C)(C)c2oc4ccccc4c2C3=O)CC1
InChIInChI=1S/C23H24N2O2S/c1-23(2)18-14-15(28-25-12-10-24(3)11-13-25)8-9-16(18)21(26)20-17-6-4-5-7-19(17)27-22(20)23/h4-9,14H,10-13H2,1-3H3
InChIKeyUPRLRXDAJABDAU-UHFFFAOYSA-N
XLogP4.56
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835125
(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl) trifluoromethanesulfonate
CID 86663832
4-[2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxyacetyl]piperazine-1-carboxylic acid
CID 140676091
8-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66834956
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N,N-diethylacetamide
CID 66834686
N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine
CID 144856795
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-(2-pyridin-4-ylethyl)acetamide
CID 67127765
2-(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl)oxy-N-[2-(2-hydroxyethylamino)ethyl]acetamide
CID 167193500
9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66834986
8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
CID 163857285
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
8-[2-(diethylamino)ethoxy]-3-ethyl-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835239

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one (CID 139565104) is 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one is CN1CCN(Sc2ccc3c(c2)C(C)(C)c2oc4ccccc4c2C3=O)CC1.
What is the InChIKey of 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is UPRLRXDAJABDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-23(2)18-14-15(28-25-12-10-24(3)11-13-25)8-9-16(18)21(26)20-17-6-4-5-7-19(17)27-22(20)23/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one?
6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 392.52 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfanylnaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 139565104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).