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

C22H27N3O2S — CID 166911641

IUPACN-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(CCNS(=O)(=O)C2CC2)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H27N3O2S/c1-16(2)14-25-15-19(9-12-24-28(26,27)20-4-5-20)21-6-3-18(13-22(21)25)17-7-10-23-11-8-17/h3,6-8,10-11,13,15-16,20,24H,4-5,9,12,14H2,1-2H3
InChIKeyWYLNBEDZHCSARW-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.98
Rot. Bonds8

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

N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide (PubChem CID 166911641) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide
PubChem CID166911641
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide
SMILESCC(C)Cn1cc(CCNS(=O)(=O)C2CC2)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H27N3O2S/c1-16(2)14-25-15-19(9-12-24-28(26,27)20-4-5-20)21-6-3-18(13-22(21)25)17-7-10-23-11-8-17/h3,6-8,10-11,13,15-16,20,24H,4-5,9,12,14H2,1-2H3
InChIKeyWYLNBEDZHCSARW-UHFFFAOYSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.98
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]cyclopropanesulfonamide?
The IUPAC name of N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide (CID 166911641) is N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide is CC(C)Cn1cc(CCNS(=O)(=O)C2CC2)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is WYLNBEDZHCSARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-16(2)14-25-15-19(9-12-24-28(26,27)20-4-5-20)21-6-3-18(13-22(21)25)17-7-10-23-11-8-17/h3,6-8,10-11,13,15-16,20,24H,4-5,9,12,14H2,1-2H3.
What are the key properties of N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide?
N-[2-[1-(2-methylpropyl)-6-pyridin-4-ylindol-3-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 397.54 g/mol, XLogP of 3.98, 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]cyclopropanesulfonamide is sourced from PubChem (CID 166911641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).