[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate

C19H21NO2S — CID 175378977

IUPAC[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCSc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1
InChIInChI=1S/C19H21NO2S/c1-19(2)11-14-9-13(12-5-4-6-15(10-12)23-3)7-8-16(14)17(19)22-18(20)21/h4-10,17H,11H2,1-3H3,(H2,20,21)
InChIKeyPQMCZZJDDHNPLG-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.79
Rot. Bonds3

About [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate

[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175378977) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
PubChem CID175378977
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
SMILESCSc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1
InChIInChI=1S/C19H21NO2S/c1-19(2)11-14-9-13(12-5-4-6-15(10-12)23-3)7-8-16(14)17(19)22-18(20)21/h4-10,17H,11H2,1-3H3,(H2,20,21)
InChIKeyPQMCZZJDDHNPLG-UHFFFAOYSA-N
XLogP4.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,2-Dimethyl-6-[2-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296577
[5-(4-Fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296596
[5-(3-Tert-butylphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296611
[2,2-Dimethyl-6-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175296618
[5-(4-Fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296634
[6-(2-Fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296635
[2,2-Dimethyl-5-(2,4,5-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175296637
[5-(2-Fluoro-4-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296641
[2,2-Dimethyl-5-(2,3,4-trifluorophenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175296642
[6-(3,4-Difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296645
[5-(2-Fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296650
[2,2-Dimethyl-5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296653

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate (CID 175378977) is [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate is CSc1cccc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)c1.
What is the InChIKey of [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is PQMCZZJDDHNPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-19(2)11-14-9-13(12-5-4-6-15(10-12)23-3)7-8-16(14)17(19)22-18(20)21/h4-10,17H,11H2,1-3H3,(H2,20,21).
What are the key properties of [2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate?
[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 327.45 g/mol, XLogP of 4.79, 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-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175378977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).