1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one

C20H23NO5S — CID 7542694

IUPAC1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H23NO5S/c1-2-20(22)17-6-8-18(9-7-17)26-15-16-4-3-5-19(14-16)27(23,24)21-10-12-25-13-11-21/h3-9,14H,2,10-13,15H2,1H3
InChIKeyQECMUMPHMCTGPO-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.88
Rot. Bonds7

About 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one

1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one (PubChem CID 7542694) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
PubChem CID7542694
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H23NO5S/c1-2-20(22)17-6-8-18(9-7-17)26-15-16-4-3-5-19(14-16)27(23,24)21-10-12-25-13-11-21/h3-9,14H,2,10-13,15H2,1H3
InChIKeyQECMUMPHMCTGPO-UHFFFAOYSA-N
XLogP2.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
CID 8531809
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(dimethylamino)benzoate
CID 7668490
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 42988498
4-[3-[(2-chloro-5-methylphenoxy)methyl]phenyl]sulfonylmorpholine
CID 9354119
4-[3-[(2-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 38879019
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-diacetamidobenzoate
CID 29358656
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16534709

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one (CID 7542694) is 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one?
The InChIKey is QECMUMPHMCTGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-2-20(22)17-6-8-18(9-7-17)26-15-16-4-3-5-19(14-16)27(23,24)21-10-12-25-13-11-21/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one?
1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one has a molecular weight of 389.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 7542694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).