2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C20H24N2O4S — CID 4801946

IUPAC2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-2-16-8-3-4-11-19(16)26-15-20(23)21-17-9-7-10-18(14-17)27(24,25)22-12-5-6-13-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,21,23)
InChIKeyPCLSRRLRHJNEES-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.05
Rot. Bonds7

About 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4801946) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4801946
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-2-16-8-3-4-11-19(16)26-15-20(23)21-17-9-7-10-18(14-17)27(24,25)22-12-5-6-13-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,21,23)
InChIKeyPCLSRRLRHJNEES-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4801946) is 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is CCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is PCLSRRLRHJNEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-16-8-3-4-11-19(16)26-15-20(23)21-17-9-7-10-18(14-17)27(24,25)22-12-5-6-13-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,21,23).
What are the key properties of 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4801946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).