2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone

C17H24N2O4S — CID 3161694

IUPAC2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCCC1
InChIInChI=1S/C17H24N2O4S/c1-14-12-15(24(21,22)19-10-4-5-11-19)6-7-16(14)23-13-17(20)18-8-2-3-9-18/h6-7,12H,2-5,8-11,13H2,1H3
InChIKeyUQILNJXVCFTJLU-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.78
Rot. Bonds5

About 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone

2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 3161694) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID3161694
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCCC1
InChIInChI=1S/C17H24N2O4S/c1-14-12-15(24(21,22)19-10-4-5-11-19)6-7-16(14)23-13-17(20)18-8-2-3-9-18/h6-7,12H,2-5,8-11,13H2,1H3
InChIKeyUQILNJXVCFTJLU-UHFFFAOYSA-N
XLogP1.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
CID 4214749
4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 2221977
1-(azepan-1-yl)-2-[4-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylpiperazin-1-yl]ethanone
CID 55639416
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
1-[4-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 47068804
N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394235
N-(2,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126393916
2-(2,4-dimethylphenoxy)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 24543647
N-(2,6-diethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126397479
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394275

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone (CID 3161694) is 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone is Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is UQILNJXVCFTJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14-12-15(24(21,22)19-10-4-5-11-19)6-7-16(14)23-13-17(20)18-8-2-3-9-18/h6-7,12H,2-5,8-11,13H2,1H3.
What are the key properties of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 352.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3161694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).