N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

C23H27N3O3S — CID 20918802

IUPACN-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCC(CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c1-18(19-7-3-2-4-8-19)16-24-23(27)17-25-14-11-20-15-21(9-10-22(20)25)30(28,29)26-12-5-6-13-26/h2-4,7-11,14-15,18H,5-6,12-13,16-17H2,1H3,(H,24,27)
InChIKeyQLORRVJFVOUXRD-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.35
Rot. Bonds7

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

N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918802) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918802
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCC(CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c1-18(19-7-3-2-4-8-19)16-24-23(27)17-25-14-11-20-15-21(9-10-22(20)25)30(28,29)26-12-5-6-13-26/h2-4,7-11,14-15,18H,5-6,12-13,16-17H2,1H3,(H,24,27)
InChIKeyQLORRVJFVOUXRD-UHFFFAOYSA-N
XLogP3.35
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918802) is N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is CC(CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is QLORRVJFVOUXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-18(19-7-3-2-4-8-19)16-24-23(27)17-25-14-11-20-15-21(9-10-22(20)25)30(28,29)26-12-5-6-13-26/h2-4,7-11,14-15,18H,5-6,12-13,16-17H2,1H3,(H,24,27).
What are the key properties of N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).