N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide

C24H32N2O2S — CID 166911443

IUPACN-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide
SMILESCC(C)Cn1cc(C(C)CNS(=O)(=O)C(C)C)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C24H32N2O2S/c1-17(2)15-26-16-23(19(5)14-25-29(27,28)18(3)4)22-12-11-21(13-24(22)26)20-9-7-6-8-10-20/h6-13,16-19,25H,14-15H2,1-5H3
InChIKeyNCBOWWAYPVGLKQ-UHFFFAOYSA-N
MW412.60 g/mol
LogP5.40
Rot. Bonds8

About N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide

N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide (PubChem CID 166911443) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide
PubChem CID166911443
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC NameN-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide
SMILESCC(C)Cn1cc(C(C)CNS(=O)(=O)C(C)C)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C24H32N2O2S/c1-17(2)15-26-16-23(19(5)14-25-29(27,28)18(3)4)22-12-11-21(13-24(22)26)20-9-7-6-8-10-20/h6-13,16-19,25H,14-15H2,1-5H3
InChIKeyNCBOWWAYPVGLKQ-UHFFFAOYSA-N
XLogP5.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide (CID 166911443) is N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide is CC(C)Cn1cc(C(C)CNS(=O)(=O)C(C)C)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide?
The InChIKey is NCBOWWAYPVGLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-17(2)15-26-16-23(19(5)14-25-29(27,28)18(3)4)22-12-11-21(13-24(22)26)20-9-7-6-8-10-20/h6-13,16-19,25H,14-15H2,1-5H3.
What are the key properties of N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide?
N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide has a molecular weight of 412.60 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpropyl)-6-phenylindol-3-yl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 166911443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).