2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

C23H28F3N3O4S — CID 110828522

IUPAC2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCN(C)C(CNCC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H28F3N3O4S/c1-28(2)21(17-3-7-19(8-4-17)23(24,25)26)15-27-16-22(30)18-5-9-20(10-6-18)34(31,32)29-11-13-33-14-12-29/h3-10,21,27H,11-16H2,1-2H3
InChIKeyKPNQISXAEBLQDT-UHFFFAOYSA-N
MW499.56 g/mol
LogP2.80
Rot. Bonds9

About 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone

2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110828522) has the molecular formula C23H28F3N3O4S and a molecular weight of 499.56 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110828522
Molecular FormulaC23H28F3N3O4S
Molecular Weight499.56 g/mol
Exact Mass499.18
IUPAC Name2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCN(C)C(CNCC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H28F3N3O4S/c1-28(2)21(17-3-7-19(8-4-17)23(24,25)26)15-27-16-22(30)18-5-9-20(10-6-18)34(31,32)29-11-13-33-14-12-29/h3-10,21,27H,11-16H2,1-2H3
InChIKeyKPNQISXAEBLQDT-UHFFFAOYSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828493
1-[3-(azepan-1-ylsulfonyl)phenyl]-2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethanone
CID 110829205
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
3-[2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828929
2-[(2-morpholin-4-yl-2-phenylethyl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828071
2-[[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829595
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[(2-morpholin-4-yl-2-phenylethyl)amino]ethanone
CID 110828347
2-[[2-(dimethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829028
1-[3-(azepan-1-ylsulfonyl)phenyl]-2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]ethanone
CID 110829171
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828503
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
(4-morpholin-4-ylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 26467896

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone (CID 110828522) is 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone is CN(C)C(CNCC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is KPNQISXAEBLQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O4S/c1-28(2)21(17-3-7-19(8-4-17)23(24,25)26)15-27-16-22(30)18-5-9-20(10-6-18)34(31,32)29-11-13-33-14-12-29/h3-10,21,27H,11-16H2,1-2H3.
What are the key properties of 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone?
2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 499.56 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110828522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).