2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H22N2O5S — CID 1013015

IUPAC2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-17-6-2-3-7-18(17)26-14-19(22)20-15-8-10-16(11-9-15)27(23,24)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22)
InChIKeyLBAAGDURWZCZJU-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.50
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1013015) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1013015
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-17-6-2-3-7-18(17)26-14-19(22)20-15-8-10-16(11-9-15)27(23,24)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22)
InChIKeyLBAAGDURWZCZJU-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1013015) is 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is LBAAGDURWZCZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-17-6-2-3-7-18(17)26-14-19(22)20-15-8-10-16(11-9-15)27(23,24)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22).
What are the key properties of 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1013015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).