N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C20H24N2O5S — CID 1084054

IUPACN-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-2-26-17-7-5-16(6-8-17)21-20(23)15-27-18-9-11-19(12-10-18)28(24,25)22-13-3-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyZOWHNLCFQWQFKE-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.89
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 1084054) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID1084054
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-2-26-17-7-5-16(6-8-17)21-20(23)15-27-18-9-11-19(12-10-18)28(24,25)22-13-3-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyZOWHNLCFQWQFKE-UHFFFAOYSA-N
XLogP2.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 1084054) is N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is ZOWHNLCFQWQFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-2-26-17-7-5-16(6-8-17)21-20(23)15-27-18-9-11-19(12-10-18)28(24,25)22-13-3-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 1084054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).