4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide

C20H23N3O5S — CID 6490706

IUPAC4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H23N3O5S/c1-14-12-17(29(26,27)23-10-2-3-11-23)8-9-18(14)28-13-19(24)22-16-6-4-15(5-7-16)20(21)25/h4-9,12H,2-3,10-11,13H2,1H3,(H2,21,25)(H,22,24)
InChIKeyUEOMGESQEGOLEK-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.90
Rot. Bonds7

About 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide

4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide (PubChem CID 6490706) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide
PubChem CID6490706
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H23N3O5S/c1-14-12-17(29(26,27)23-10-2-3-11-23)8-9-18(14)28-13-19(24)22-16-6-4-15(5-7-16)20(21)25/h4-9,12H,2-3,10-11,13H2,1H3,(H2,21,25)(H,22,24)
InChIKeyUEOMGESQEGOLEK-UHFFFAOYSA-N
XLogP1.90
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide (CID 6490706) is 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide is Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide?
The InChIKey is UEOMGESQEGOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14-12-17(29(26,27)23-10-2-3-11-23)8-9-18(14)28-13-19(24)22-16-6-4-15(5-7-16)20(21)25/h4-9,12H,2-3,10-11,13H2,1H3,(H2,21,25)(H,22,24).
What are the key properties of 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide?
4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide has a molecular weight of 417.49 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 6490706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).