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

C22H25N3O3S — CID 20918795

IUPACN-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCc1ccccc1
InChIInChI=1S/C22H25N3O3S/c26-22(23-12-10-18-6-2-1-3-7-18)17-24-15-11-19-16-20(8-9-21(19)24)29(27,28)25-13-4-5-14-25/h1-3,6-9,11,15-16H,4-5,10,12-14,17H2,(H,23,26)
InChIKeyZGPNXPUAIKEDEN-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.78
Rot. Bonds7

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

N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918795) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918795
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCc1ccccc1
InChIInChI=1S/C22H25N3O3S/c26-22(23-12-10-18-6-2-1-3-7-18)17-24-15-11-19-16-20(8-9-21(19)24)29(27,28)25-13-4-5-14-25/h1-3,6-9,11,15-16H,4-5,10,12-14,17H2,(H,23,26)
InChIKeyZGPNXPUAIKEDEN-UHFFFAOYSA-N
XLogP2.78
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918795) is N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is ZGPNXPUAIKEDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c26-22(23-12-10-18-6-2-1-3-7-18)17-24-15-11-19-16-20(8-9-21(19)24)29(27,28)25-13-4-5-14-25/h1-3,6-9,11,15-16H,4-5,10,12-14,17H2,(H,23,26).
What are the key properties of N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).