[2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate

C20H20F3NO2S — CID 175296653

IUPAC[2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCSc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO2S/c1-19(2)10-13-6-11(4-5-16(13)17(19)26-18(24)25)12-7-14(20(21,22)23)9-15(8-12)27-3/h4-9,17H,10H2,1-3H3,(H2,24,25)
InChIKeyFNEDSPOFCDHISL-UHFFFAOYSA-N
MW395.45 g/mol
LogP5.81
Rot. Bonds3

About [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate

[2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296653) has the molecular formula C20H20F3NO2S and a molecular weight of 395.45 g/mol. Its IUPAC name is [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296653
Molecular FormulaC20H20F3NO2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name[2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
SMILESCSc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO2S/c1-19(2)10-13-6-11(4-5-16(13)17(19)26-18(24)25)12-7-14(20(21,22)23)9-15(8-12)27-3/h4-9,17H,10H2,1-3H3,(H2,24,25)
InChIKeyFNEDSPOFCDHISL-UHFFFAOYSA-N
XLogP5.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate 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 [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate (CID 175296653) is [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate is CSc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)cc(C(F)(F)F)c1.
What is the InChIKey of [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is FNEDSPOFCDHISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2S/c1-19(2)10-13-6-11(4-5-16(13)17(19)26-18(24)25)12-7-14(20(21,22)23)9-15(8-12)27-3/h4-9,17H,10H2,1-3H3,(H2,24,25).
What are the key properties of [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 395.45 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).