3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide

C20H32N2O4S — CID 60596722

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N2CC(C)OC(C)C2)c1)C(C)C(C)C
InChIInChI=1S/C20H32N2O4S/c1-7-22(17(6)14(2)3)20(23)18-9-8-10-19(11-18)27(24,25)21-12-15(4)26-16(5)13-21/h8-11,14-17H,7,12-13H2,1-6H3
InChIKeyJZORQYXEYXZIMV-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.99
Rot. Bonds6

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 60596722) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID60596722
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N2CC(C)OC(C)C2)c1)C(C)C(C)C
InChIInChI=1S/C20H32N2O4S/c1-7-22(17(6)14(2)3)20(23)18-9-8-10-19(11-18)27(24,25)21-12-15(4)26-16(5)13-21/h8-11,14-17H,7,12-13H2,1-6H3
InChIKeyJZORQYXEYXZIMV-UHFFFAOYSA-N
XLogP2.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 134054858
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
[2-(diethylamino)-2-oxoethyl] 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661064
propyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 46544170
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-6-methylheptan-2-yl]benzamide
CID 25486199
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 42905156
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenylpropyl)benzamide
CID 43010790
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 46588591
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 27746046
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16525930

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide (CID 60596722) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide is CCN(C(=O)c1cccc(S(=O)(=O)N2CC(C)OC(C)C2)c1)C(C)C(C)C.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is JZORQYXEYXZIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-7-22(17(6)14(2)3)20(23)18-9-8-10-19(11-18)27(24,25)21-12-15(4)26-16(5)13-21/h8-11,14-17H,7,12-13H2,1-6H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 396.55 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 60596722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).