N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide

C19H20N2O2S — CID 101441409

IUPACN-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide
SMILESCCS(=O)c1ccccc1N(C)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C19H20N2O2S/c1-4-24(23)18-12-8-7-11-16(18)21(3)19(22)17-13-14-9-5-6-10-15(14)20(17)2/h5-13H,4H2,1-3H3
InChIKeyCTBOWVWWCLCEBQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.58
Rot. Bonds4

About N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide

N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide (PubChem CID 101441409) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide
PubChem CID101441409
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide
SMILESCCS(=O)c1ccccc1N(C)C(=O)c1cc2ccccc2n1C
InChIInChI=1S/C19H20N2O2S/c1-4-24(23)18-12-8-7-11-16(18)21(3)19(22)17-13-14-9-5-6-10-15(14)20(17)2/h5-13H,4H2,1-3H3
InChIKeyCTBOWVWWCLCEBQ-UHFFFAOYSA-N
XLogP3.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide?
The IUPAC name of N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide (CID 101441409) is N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide is CCS(=O)c1ccccc1N(C)C(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide?
The InChIKey is CTBOWVWWCLCEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-4-24(23)18-12-8-7-11-16(18)21(3)19(22)17-13-14-9-5-6-10-15(14)20(17)2/h5-13H,4H2,1-3H3.
What are the key properties of N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide?
N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylphenyl)-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 101441409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).