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

C17H24N2O5S — CID 2226440

IUPAC2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O5S/c1-14-12-15(25(21,22)19-6-2-3-7-19)4-5-16(14)24-13-17(20)18-8-10-23-11-9-18/h4-5,12H,2-3,6-11,13H2,1H3
InChIKeyWRLUHLUJJDHZPQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.02
Rot. Bonds5

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

2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone (PubChem CID 2226440) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone
PubChem CID2226440
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O5S/c1-14-12-15(25(21,22)19-6-2-3-7-19)4-5-16(14)24-13-17(20)18-8-10-23-11-9-18/h4-5,12H,2-3,6-11,13H2,1H3
InChIKeyWRLUHLUJJDHZPQ-UHFFFAOYSA-N
XLogP1.02
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1008028
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084089
N-Benzyl-4-(2-morpholin-4-yl-2-oxo-ethoxy)-benzenesulfonamide
CID 1088524
N-Benzyl-N-methyl-4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-benzenesulfonamide
CID 1092878
N-benzyl-4-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 1092921
Ethyl 4-{[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfonyl}-1-piperazinecarboxylate
CID 1092930
4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1243945
4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 1314518
1-{[4-(1-Piperidinylsulfonyl)phenoxy]acetyl}azepane
CID 2240997
1-{[4-(4-Morpholinylsulfonyl)phenoxy]acetyl}azepane
CID 2320124
N-sec-Butyl-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-benzenesulfonamide
CID 2949509

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone (CID 2226440) is 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone is Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone?
The InChIKey is WRLUHLUJJDHZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-14-12-15(25(21,22)19-6-2-3-7-19)4-5-16(14)24-13-17(20)18-8-10-23-11-9-18/h4-5,12H,2-3,6-11,13H2,1H3.
What are the key properties of 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone?
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone has a molecular weight of 368.46 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 2226440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).