2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)

C152H246N5O20S8-7 — CID 160583643

IUPAC2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCCCCCCc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.CCc1cc(C)cc(C(=O)NC(C)C)c1.CCc1ccc(Cc2ccncc2)cc1.CCc1ccc2c(c1)OCCO2.CCc1ccc2c(c1C)CCC2.CCc1ccc2ncsc2c1.CCc1cccc(C(N)=O)c1
InChIInChI=1S/C21H29NO2.C14H15N.C13H19NO.C12H16.C10H12O2.C9H11NO.C9H9NS.6C7H14.C4H10O2S.6C3H8O2S/c1-2-3-4-5-7-10-16-13-14-18-19(15-16)21(24)22(20(18)23)17-11-8-6-9-12-17;1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14;1-5-11-6-10(4)7-12(8-11)13(15)14-9(2)3;1-3-10-7-8-11-5-4-6-12(11)9(10)2;1-2-8-3-4-9-10(7-8)12-6-5-11-9;1-2-7-4-3-5-8(6-7)9(10)11;1-2-7-3-4-8-9(5-7)11-6-10-8;6*1-7-5-3-2-4-6-7;1-4(2,3)7(5)6;6*1-3(2)6(4)5/h13-15,17H,2-12H2,1H3;3-10H,2,11H2,1H3;6-9H,5H2,1-4H3,(H,14,15);7-8H,3-6H2,1-2H3;3-4,7H,2,5-6H2,1H3;3-6H,2H2,1H3,(H2,10,11);3-6H,2H2,1H3;6*7H,2-6H2,1H3;1-3H3,(H,5,6);6*3H,1-2H3,(H,4,5)/p-7
InChIKeyCHQQXMVEFMWDEK-UHFFFAOYSA-G
MW2720.19 g/mol
LogP38.16
Rot. Bonds24

About 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)

2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate) (PubChem CID 160583643) has the molecular formula C152H246N5O20S8-7 and a molecular weight of 2720.19 g/mol. Its IUPAC name is 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate).

Molecular Properties

Compound Name2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)
PubChem CID160583643
Molecular FormulaC152H246N5O20S8-7
Molecular Weight2720.19 g/mol
Exact Mass2717.62
IUPAC Name2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)
SMILESCC(C)(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCCCCCCc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.CCc1cc(C)cc(C(=O)NC(C)C)c1.CCc1ccc(Cc2ccncc2)cc1.CCc1ccc2c(c1)OCCO2.CCc1ccc2c(c1C)CCC2.CCc1ccc2ncsc2c1.CCc1cccc(C(N)=O)c1
InChIInChI=1S/C21H29NO2.C14H15N.C13H19NO.C12H16.C10H12O2.C9H11NO.C9H9NS.6C7H14.C4H10O2S.6C3H8O2S/c1-2-3-4-5-7-10-16-13-14-18-19(15-16)21(24)22(20(18)23)17-11-8-6-9-12-17;1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14;1-5-11-6-10(4)7-12(8-11)13(15)14-9(2)3;1-3-10-7-8-11-5-4-6-12(11)9(10)2;1-2-8-3-4-9-10(7-8)12-6-5-11-9;1-2-7-4-3-5-8(6-7)9(10)11;1-2-7-3-4-8-9(5-7)11-6-10-8;6*1-7-5-3-2-4-6-7;1-4(2,3)7(5)6;6*1-3(2)6(4)5/h13-15,17H,2-12H2,1H3;3-10H,2,11H2,1H3;6-9H,5H2,1-4H3,(H,14,15);7-8H,3-6H2,1-2H3;3-4,7H,2,5-6H2,1H3;3-6H,2H2,1H3,(H2,10,11);3-6H,2H2,1H3;6*7H,2-6H2,1H3;1-3H3,(H,5,6);6*3H,1-2H3,(H,4,5)/p-7
InChIKeyCHQQXMVEFMWDEK-UHFFFAOYSA-G
XLogP38.16
TPSA434.72 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002720.19
LogP ≤ 538.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)?
The IUPAC name of 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate) (CID 160583643) is 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate).
What is the SMILES notation for 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)?
The canonical SMILES for 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CC1CCCCC1.CCCCCCCc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.CCc1cc(C)cc(C(=O)NC(C)C)c1.CCc1ccc(Cc2ccncc2)cc1.CCc1ccc2c(c1)OCCO2.CCc1ccc2c(c1C)CCC2.CCc1ccc2ncsc2c1.CCc1cccc(C(N)=O)c1.
What is the InChIKey of 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)?
The InChIKey is CHQQXMVEFMWDEK-UHFFFAOYSA-G. The full InChI is InChI=1S/C21H29NO2.C14H15N.C13H19NO.C12H16.C10H12O2.C9H11NO.C9H9NS.6C7H14.C4H10O2S.6C3H8O2S/c1-2-3-4-5-7-10-16-13-14-18-19(15-16)21(24)22(20(18)23)17-11-8-6-9-12-17;1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14;1-5-11-6-10(4)7-12(8-11)13(15)14-9(2)3;1-3-10-7-8-11-5-4-6-12(11)9(10)2;1-2-8-3-4-9-10(7-8)12-6-5-11-9;1-2-7-4-3-5-8(6-7)9(10)11;1-2-7-3-4-8-9(5-7)11-6-10-8;6*1-7-5-3-2-4-6-7;1-4(2,3)7(5)6;6*1-3(2)6(4)5/h13-15,17H,2-12H2,1H3;3-10H,2,11H2,1H3;6-9H,5H2,1-4H3,(H,14,15);7-8H,3-6H2,1-2H3;3-4,7H,2,5-6H2,1H3;3-6H,2H2,1H3,(H2,10,11);3-6H,2H2,1H3;6*7H,2-6H2,1H3;1-3H3,(H,5,6);6*3H,1-2H3,(H,4,5)/p-7.
What are the key properties of 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate)?
2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate) has a molecular weight of 2720.19 g/mol, XLogP of 38.16, 24 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-heptylisoindole-1,3-dione;3-ethylbenzamide;6-ethyl-1,3-benzothiazole;6-ethyl-2,3-dihydro-1,4-benzodioxine;5-ethyl-4-methyl-2,3-dihydro-1H-indene;3-ethyl-5-methyl-N-propan-2-ylbenzamide;4-[(4-ethylphenyl)methyl]pyridine;hexakis(methylcyclohexane);2-methylpropane-2-sulfinate;hexakis(propane-2-sulfinate) is sourced from PubChem (CID 160583643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).