N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

C24H29N3O3S — CID 24792781

IUPACN-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(CNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1
InChIInChI=1S/C24H29N3O3S/c1-19(20-7-3-2-4-8-20)18-25-24(28)12-16-26-15-11-21-17-22(9-10-23(21)26)31(29,30)27-13-5-6-14-27/h2-4,7-11,15,17,19H,5-6,12-14,16,18H2,1H3,(H,25,28)
InChIKeyFNCVJEKTFKPZQF-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.74
Rot. Bonds8

About N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (PubChem CID 24792781) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
PubChem CID24792781
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESCC(CNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1
InChIInChI=1S/C24H29N3O3S/c1-19(20-7-3-2-4-8-20)18-25-24(28)12-16-26-15-11-21-17-22(9-10-23(21)26)31(29,30)27-13-5-6-14-27/h2-4,7-11,15,17,19H,5-6,12-14,16,18H2,1H3,(H,25,28)
InChIKeyFNCVJEKTFKPZQF-UHFFFAOYSA-N
XLogP3.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The IUPAC name of N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (CID 24792781) is N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.
What is the SMILES notation for N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The canonical SMILES for N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is CC(CNC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The InChIKey is FNCVJEKTFKPZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-19(20-7-3-2-4-8-20)18-25-24(28)12-16-26-15-11-21-17-22(9-10-23(21)26)31(29,30)27-13-5-6-14-27/h2-4,7-11,15,17,19H,5-6,12-14,16,18H2,1H3,(H,25,28).
What are the key properties of N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide has a molecular weight of 439.58 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is sourced from PubChem (CID 24792781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).