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

C18H20N2O4S — CID 1010634

IUPAC2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H20N2O4S/c21-18(14-24-16-6-2-1-3-7-16)19-15-8-10-17(11-9-15)25(22,23)20-12-4-5-13-20/h1-3,6-11H,4-5,12-14H2,(H,19,21)
InChIKeyWKJQDRYXHWXZCI-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.49
Rot. Bonds6

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

2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 1010634) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID1010634
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H20N2O4S/c21-18(14-24-16-6-2-1-3-7-16)19-15-8-10-17(11-9-15)25(22,23)20-12-4-5-13-20/h1-3,6-11H,4-5,12-14H2,(H,19,21)
InChIKeyWKJQDRYXHWXZCI-UHFFFAOYSA-N
XLogP2.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 1010634) is 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is WKJQDRYXHWXZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(14-24-16-6-2-1-3-7-16)19-15-8-10-17(11-9-15)25(22,23)20-12-4-5-13-20/h1-3,6-11H,4-5,12-14H2,(H,19,21).
What are the key properties of 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1010634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).