4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide

C22H27FN2O5S — CID 46637447

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N(C)CCOc3ccccc3F)cc2)CC(C)O1
InChIInChI=1S/C22H27FN2O5S/c1-16-14-25(15-17(2)30-16)31(27,28)19-10-8-18(9-11-19)22(26)24(3)12-13-29-21-7-5-4-6-20(21)23/h4-11,16-17H,12-15H2,1-3H3
InChIKeyZOXDIKDPBZIBME-UHFFFAOYSA-N
MW450.53 g/mol
LogP2.77
Rot. Bonds7

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide (PubChem CID 46637447) has the molecular formula C22H27FN2O5S and a molecular weight of 450.53 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
PubChem CID46637447
Molecular FormulaC22H27FN2O5S
Molecular Weight450.53 g/mol
Exact Mass450.16
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)N(C)CCOc3ccccc3F)cc2)CC(C)O1
InChIInChI=1S/C22H27FN2O5S/c1-16-14-25(15-17(2)30-16)31(27,28)19-10-8-18(9-11-19)22(26)24(3)12-13-29-21-7-5-4-6-20(21)23/h4-11,16-17H,12-15H2,1-3H3
InChIKeyZOXDIKDPBZIBME-UHFFFAOYSA-N
XLogP2.77
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26960301
N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51222796
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 55760023
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26268401
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 24551180
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylbenzamide
CID 31978663
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
N-[2-(tert-butylamino)-2-oxoethyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylbenzamide
CID 9193663
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626
2-phenylethyl 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764337
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020441

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide (CID 46637447) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)N(C)CCOc3ccccc3F)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
The InChIKey is ZOXDIKDPBZIBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O5S/c1-16-14-25(15-17(2)30-16)31(27,28)19-10-8-18(9-11-19)22(26)24(3)12-13-29-21-7-5-4-6-20(21)23/h4-11,16-17H,12-15H2,1-3H3.
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide has a molecular weight of 450.53 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 46637447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).