2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide

C15H26N4O3S — CID 50958461

IUPAC2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
SMILESCC(C)c1nccn1C(C)C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C15H26N4O3S/c1-12(2)14-16-6-10-19(14)13(3)15(20)17-7-11-23(21,22)18-8-4-5-9-18/h6,10,12-13H,4-5,7-9,11H2,1-3H3,(H,17,20)
InChIKeyGRTFRYCHINXOJD-UHFFFAOYSA-N
MW342.47 g/mol
LogP1.11
Rot. Bonds7

About 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide

2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide (PubChem CID 50958461) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
PubChem CID50958461
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
SMILESCC(C)c1nccn1C(C)C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C15H26N4O3S/c1-12(2)14-16-6-10-19(14)13(3)15(20)17-7-11-23(21,22)18-8-4-5-9-18/h6,10,12-13H,4-5,7-9,11H2,1-3H3,(H,17,20)
InChIKeyGRTFRYCHINXOJD-UHFFFAOYSA-N
XLogP1.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide (CID 50958461) is 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide is CC(C)c1nccn1C(C)C(=O)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
The InChIKey is GRTFRYCHINXOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-12(2)14-16-6-10-19(14)13(3)15(20)17-7-11-23(21,22)18-8-4-5-9-18/h6,10,12-13H,4-5,7-9,11H2,1-3H3,(H,17,20).
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide?
2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide has a molecular weight of 342.47 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide is sourced from PubChem (CID 50958461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).