N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C18H26N2O4S — CID 2231420

IUPACN-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O4S/c1-14-12-16(25(22,23)20-10-4-5-11-20)8-9-17(14)24-13-18(21)19-15-6-2-3-7-15/h8-9,12,15H,2-7,10-11,13H2,1H3,(H,19,21)
InChIKeyPDJYAADRZISWGD-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.22
Rot. Bonds6

About N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 2231420) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID2231420
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O4S/c1-14-12-16(25(22,23)20-10-4-5-11-20)8-9-17(14)24-13-18(21)19-15-6-2-3-7-15/h8-9,12,15H,2-7,10-11,13H2,1H3,(H,19,21)
InChIKeyPDJYAADRZISWGD-UHFFFAOYSA-N
XLogP2.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 2231420) is N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is PDJYAADRZISWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-12-16(25(22,23)20-10-4-5-11-20)8-9-17(14)24-13-18(21)19-15-6-2-3-7-15/h8-9,12,15H,2-7,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 366.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 2231420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).