[2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

C16H20F3N3O4S — CID 6498830

IUPAC[2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O4S/c1-12-21(15(23)20-7-9-26-10-8-20)5-6-22(12)27(24,25)14-4-2-3-13(11-14)16(17,18)19/h2-4,11-12H,5-10H2,1H3
InChIKeyPBNZVLJIIGQGGW-UHFFFAOYSA-N
MW407.41 g/mol
LogP1.81
Rot. Bonds2

About [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

[2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498830) has the molecular formula C16H20F3N3O4S and a molecular weight of 407.41 g/mol. Its IUPAC name is [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498830
Molecular FormulaC16H20F3N3O4S
Molecular Weight407.41 g/mol
Exact Mass407.11
IUPAC Name[2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O4S/c1-12-21(15(23)20-7-9-26-10-8-20)5-6-22(12)27(24,25)14-4-2-3-13(11-14)16(17,18)19/h2-4,11-12H,5-10H2,1H3
InChIKeyPBNZVLJIIGQGGW-UHFFFAOYSA-N
XLogP1.81
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
N4-[2-({[4-(trifluoromethyl)phenyl]sulfonyl}amino)ethyl]morpholine-4-carboxamide
CID 2725780
[5-Methyl-3-(phenylsulfonyl)imidazolidin-1-yl](morpholin-4-yl)methanone
CID 6498818
(3-Benzenesulfonyl-imidazolidin-1-yl)-morpholin-4-yl-methanone
CID 656022
1-[3-(4-Methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 1246518
[4-(3,4-Dimethyl-benzenesulfonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1299021
(5-Methyl-3-{[3-(trifluoromethyl)phenyl]sulfonyl}imidazolidin-1-yl)(morpholin-4-yl)methanone
CID 6498823
{2,5-Dimethyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498825
[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 645069
Morpholine-4-carboxylic acid [2-(toluene-4-sulfonylamino)-ethyl]-amide
CID 650678
{2-Methyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 3241896
[3-(4-Fluoro-benzenesulfonyl)-2,5-dimethyl-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 6498829

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498830) is [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is CC1N(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is PBNZVLJIIGQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O4S/c1-12-21(15(23)20-7-9-26-10-8-20)5-6-22(12)27(24,25)14-4-2-3-13(11-14)16(17,18)19/h2-4,11-12H,5-10H2,1H3.
What are the key properties of [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 407.41 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).