2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide

C22H29N3O2S — CID 166911856

IUPAC2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide
SMILESCC(C)Cn1cc(CNS(=O)(=O)CC(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H29N3O2S/c1-16(2)13-25-14-20(12-24-28(26,27)15-17(3)4)21-6-5-19(11-22(21)25)18-7-9-23-10-8-18/h5-11,14,16-17,24H,12-13,15H2,1-4H3
InChIKeyXIVVINXTTYSYNC-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.43
Rot. Bonds8

About 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide

2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide (PubChem CID 166911856) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide
PubChem CID166911856
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide
SMILESCC(C)Cn1cc(CNS(=O)(=O)CC(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H29N3O2S/c1-16(2)13-25-14-20(12-24-28(26,27)15-17(3)4)21-6-5-19(11-22(21)25)18-7-9-23-10-8-18/h5-11,14,16-17,24H,12-13,15H2,1-4H3
InChIKeyXIVVINXTTYSYNC-UHFFFAOYSA-N
XLogP4.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide (CID 166911856) is 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide is CC(C)Cn1cc(CNS(=O)(=O)CC(C)C)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide?
The InChIKey is XIVVINXTTYSYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-16(2)13-25-14-20(12-24-28(26,27)15-17(3)4)21-6-5-19(11-22(21)25)18-7-9-23-10-8-18/h5-11,14,16-17,24H,12-13,15H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide?
2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide has a molecular weight of 399.56 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 166911856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).