2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C19H27F3N2O4S — CID 60615431

IUPAC2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)CS(=O)(=O)CC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C19H27F3N2O4S/c1-14(2)12-29(26,27)13-18(25)23-11-17(24-7-9-28-10-8-24)15-3-5-16(6-4-15)19(20,21)22/h3-6,14,17H,7-13H2,1-2H3,(H,23,25)
InChIKeyKLTGKQLODWLEOR-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.27
Rot. Bonds8

About 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 60615431) has the molecular formula C19H27F3N2O4S and a molecular weight of 436.50 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID60615431
Molecular FormulaC19H27F3N2O4S
Molecular Weight436.50 g/mol
Exact Mass436.16
IUPAC Name2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(C)CS(=O)(=O)CC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C19H27F3N2O4S/c1-14(2)12-29(26,27)13-18(25)23-11-17(24-7-9-28-10-8-24)15-3-5-16(6-4-15)19(20,21)22/h3-6,14,17H,7-13H2,1-2H3,(H,23,25)
InChIKeyKLTGKQLODWLEOR-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
(2R)-2-methylsulfanyl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511635
(2R)-2-methylsulfanyl-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511637
4-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]butanamide;dihydrochloride
CID 119872533
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide
CID 59125012
1,2-dimethyl-3-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 91641994
2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride
CID 119946956
4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
CID 134949179
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
2-methyl-1-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472431

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 60615431) is 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is CC(C)CS(=O)(=O)CC(=O)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is KLTGKQLODWLEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O4S/c1-14(2)12-29(26,27)13-18(25)23-11-17(24-7-9-28-10-8-24)15-3-5-16(6-4-15)19(20,21)22/h3-6,14,17H,7-13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 436.50 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 60615431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).