N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C17H26N2O4S — CID 3156728

IUPACN-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCCCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-6-14(2)18-17(20)13-23-15-7-9-16(10-8-15)24(21,22)19-11-4-5-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyDTWUGFWXJCDYAI-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.15
Rot. Bonds8

About N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 3156728) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID3156728
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCCCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-3-6-14(2)18-17(20)13-23-15-7-9-16(10-8-15)24(21,22)19-11-4-5-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20)
InChIKeyDTWUGFWXJCDYAI-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 3156728) is N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CCCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is DTWUGFWXJCDYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-6-14(2)18-17(20)13-23-15-7-9-16(10-8-15)24(21,22)19-11-4-5-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,18,20).
What are the key properties of N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 354.47 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 3156728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).