3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

C24H28F3N3O5S — CID 3569749

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2)CC(C)O1
InChIInChI=1S/C24H28F3N3O5S/c1-16-14-30(15-17(2)35-16)36(32,33)20-5-3-4-18(12-20)23(31)28-21-13-19(24(25,26)27)6-7-22(21)29-8-10-34-11-9-29/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H,28,31)
InChIKeyOYWSXGLKXBQTRJ-UHFFFAOYSA-N
MW527.57 g/mol
LogP3.59
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 3569749) has the molecular formula C24H28F3N3O5S and a molecular weight of 527.57 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID3569749
Molecular FormulaC24H28F3N3O5S
Molecular Weight527.57 g/mol
Exact Mass527.17
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2)CC(C)O1
InChIInChI=1S/C24H28F3N3O5S/c1-16-14-30(15-17(2)35-16)36(32,33)20-5-3-4-18(12-20)23(31)28-21-13-19(24(25,26)27)6-7-22(21)29-8-10-34-11-9-29/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H,28,31)
InChIKeyOYWSXGLKXBQTRJ-UHFFFAOYSA-N
XLogP3.59
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16550994
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421
3-morpholin-4-ylsulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175483
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40855456
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide (CID 3569749) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is OYWSXGLKXBQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O5S/c1-16-14-30(15-17(2)35-16)36(32,33)20-5-3-4-18(12-20)23(31)28-21-13-19(24(25,26)27)6-7-22(21)29-8-10-34-11-9-29/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H,28,31).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 527.57 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3569749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).