3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole

C23H31N3O3S — CID 166911189

IUPAC3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole
SMILESCOc1ccccc1-c1ccc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2c1
InChIInChI=1S/C23H31N3O3S/c1-17(2)15-26-16-19(12-13-24-30(27,28)25(3)4)20-11-10-18(14-22(20)26)21-8-6-7-9-23(21)29-5/h6-11,14,16-17,24H,12-13,15H2,1-5H3
InChIKeySAHIIYIZTWPWHE-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.91
Rot. Bonds9

About 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole

3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole (PubChem CID 166911189) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole
PubChem CID166911189
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole
SMILESCOc1ccccc1-c1ccc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2c1
InChIInChI=1S/C23H31N3O3S/c1-17(2)15-26-16-19(12-13-24-30(27,28)25(3)4)20-11-10-18(14-22(20)26)21-8-6-7-9-23(21)29-5/h6-11,14,16-17,24H,12-13,15H2,1-5H3
InChIKeySAHIIYIZTWPWHE-UHFFFAOYSA-N
XLogP3.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole?
The IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole (CID 166911189) is 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole.
What is the SMILES notation for 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole?
The canonical SMILES for 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole is COc1ccccc1-c1ccc2c(CCNS(=O)(=O)N(C)C)cn(CC(C)C)c2c1.
What is the InChIKey of 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole?
The InChIKey is SAHIIYIZTWPWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17(2)15-26-16-19(12-13-24-30(27,28)25(3)4)20-11-10-18(14-22(20)26)21-8-6-7-9-23(21)29-5/h6-11,14,16-17,24H,12-13,15H2,1-5H3.
What are the key properties of 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole?
3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole has a molecular weight of 429.59 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoylamino)ethyl]-6-(2-methoxyphenyl)-1-(2-methylpropyl)indole is sourced from PubChem (CID 166911189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).