N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

C24H28N4O3S — CID 20947146

IUPACN-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N4O3S/c29-24(19-26-18-23(25-20-26)32(30,31)28-14-7-8-15-28)27(17-22-11-5-2-6-12-22)16-13-21-9-3-1-4-10-21/h1-6,9-12,18,20H,7-8,13-17,19H2
InChIKeyFETKIIBOTWTWOB-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.94
Rot. Bonds9

About N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20947146) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20947146
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N4O3S/c29-24(19-26-18-23(25-20-26)32(30,31)28-14-7-8-15-28)27(17-22-11-5-2-6-12-22)16-13-21-9-3-1-4-10-21/h1-6,9-12,18,20H,7-8,13-17,19H2
InChIKeyFETKIIBOTWTWOB-UHFFFAOYSA-N
XLogP2.94
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20947146) is N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is FETKIIBOTWTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c29-24(19-26-18-23(25-20-26)32(30,31)28-14-7-8-15-28)27(17-22-11-5-2-6-12-22)16-13-21-9-3-1-4-10-21/h1-6,9-12,18,20H,7-8,13-17,19H2.
What are the key properties of N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20947146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).