2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H22N2O4S — CID 4805645

IUPAC2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H22N2O4S/c25-22(16-28-20-11-10-17-6-1-2-7-18(17)14-20)23-19-8-5-9-21(15-19)29(26,27)24-12-3-4-13-24/h1-2,5-11,14-15H,3-4,12-13,16H2,(H,23,25)
InChIKeyXTDHVJQJCLSICP-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.64
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4805645) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID4805645
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H22N2O4S/c25-22(16-28-20-11-10-17-6-1-2-7-18(17)14-20)23-19-8-5-9-21(15-19)29(26,27)24-12-3-4-13-24/h1-2,5-11,14-15H,3-4,12-13,16H2,(H,23,25)
InChIKeyXTDHVJQJCLSICP-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 4805645) is 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(COc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is XTDHVJQJCLSICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-22(16-28-20-11-10-17-6-1-2-7-18(17)14-20)23-19-8-5-9-21(15-19)29(26,27)24-12-3-4-13-24/h1-2,5-11,14-15H,3-4,12-13,16H2,(H,23,25).
What are the key properties of 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4805645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).