2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C19H18BrF3N2O2S — CID 2336784

IUPAC2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H18BrF3N2O2S/c20-14-2-4-15(5-3-14)28-12-18(26)24-16-11-13(19(21,22)23)1-6-17(16)25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H,24,26)
InChIKeyPPCJPMXLSQUROA-UHFFFAOYSA-N
MW475.33 g/mol
LogP5.04
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2336784) has the molecular formula C19H18BrF3N2O2S and a molecular weight of 475.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2336784
Molecular FormulaC19H18BrF3N2O2S
Molecular Weight475.33 g/mol
Exact Mass474.02
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C19H18BrF3N2O2S/c20-14-2-4-15(5-3-14)28-12-18(26)24-16-11-13(19(21,22)23)1-6-17(16)25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H,24,26)
InChIKeyPPCJPMXLSQUROA-UHFFFAOYSA-N
XLogP5.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 847697
N-(3-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24687588
2-(4-bromophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 978526
N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-(o-tolylthio)acetamide
CID 24686745
N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24979562
2-[(4-bromophenyl)sulfanyl]-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 2996527
2-(4-chlorophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 979302
N-[3-(bromomethyl)phenyl]-N'-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]oxamide
CID 139971666
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phenylsulfanylacetamide
CID 2126492
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 2161593
2-[(4-methylphenyl)thio]-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide
CID 2236029
[2-[2-Morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 2352639

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2336784) is 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PPCJPMXLSQUROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF3N2O2S/c20-14-2-4-15(5-3-14)28-12-18(26)24-16-11-13(19(21,22)23)1-6-17(16)25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H,24,26).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 475.33 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2336784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).