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

C22H29N3O2S — CID 166911619

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

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

N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide (PubChem CID 166911619) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide
PubChem CID166911619
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)Cn1cc(CCNS(=O)(=O)C(C)C)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H29N3O2S/c1-16(2)14-25-15-20(9-12-24-28(26,27)17(3)4)21-6-5-19(13-22(21)25)18-7-10-23-11-8-18/h5-8,10-11,13,15-17,24H,9,12,14H2,1-4H3
InChIKeyFJVJLSMEQZFJQA-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide (CID 166911619) is N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide is CC(C)Cn1cc(CCNS(=O)(=O)C(C)C)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide?
The InChIKey is FJVJLSMEQZFJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-16(2)14-25-15-20(9-12-24-28(26,27)17(3)4)21-6-5-19(13-22(21)25)18-7-10-23-11-8-18/h5-8,10-11,13,15-17,24H,9,12,14H2,1-4H3.
What are the key properties of N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide?
N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide has a molecular weight of 399.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 166911619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).