3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole

C24H32N4O2S — CID 166911523

IUPAC3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole
SMILESCC(C)Cn1cc(C(CNS(=O)(=O)N(C)C)C2CC2)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C24H32N4O2S/c1-17(2)15-28-16-23(22(19-5-6-19)14-26-31(29,30)27(3)4)21-8-7-20(13-24(21)28)18-9-11-25-12-10-18/h7-13,16-17,19,22,26H,5-6,14-15H2,1-4H3
InChIKeyCNQJDDKMOJRHGE-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.25
Rot. Bonds9

About 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole

3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole (PubChem CID 166911523) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole.

Molecular Properties

Compound Name3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole
PubChem CID166911523
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole
SMILESCC(C)Cn1cc(C(CNS(=O)(=O)N(C)C)C2CC2)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C24H32N4O2S/c1-17(2)15-28-16-23(22(19-5-6-19)14-26-31(29,30)27(3)4)21-8-7-20(13-24(21)28)18-9-11-25-12-10-18/h7-13,16-17,19,22,26H,5-6,14-15H2,1-4H3
InChIKeyCNQJDDKMOJRHGE-UHFFFAOYSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole?
The IUPAC name of 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole (CID 166911523) is 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole.
What is the SMILES notation for 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole?
The canonical SMILES for 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole is CC(C)Cn1cc(C(CNS(=O)(=O)N(C)C)C2CC2)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole?
The InChIKey is CNQJDDKMOJRHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-17(2)15-28-16-23(22(19-5-6-19)14-26-31(29,30)27(3)4)21-8-7-20(13-24(21)28)18-9-11-25-12-10-18/h7-13,16-17,19,22,26H,5-6,14-15H2,1-4H3.
What are the key properties of 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole?
3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole has a molecular weight of 440.61 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropyl-2-(dimethylsulfamoylamino)ethyl]-1-(2-methylpropyl)-6-pyridin-4-ylindole is sourced from PubChem (CID 166911523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).