N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide

C23H21F3N2O2S — CID 39923349

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C23H21F3N2O2S/c24-23(25,26)17-8-9-20(28-10-12-30-13-11-28)19(14-17)27-22(29)15-31-21-7-3-5-16-4-1-2-6-18(16)21/h1-9,14H,10-13,15H2,(H,27,29)
InChIKeyMQCONFMZIXWMMO-UHFFFAOYSA-N
MW446.49 g/mol
LogP5.43
Rot. Bonds5

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 39923349) has the molecular formula C23H21F3N2O2S and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
PubChem CID39923349
Molecular FormulaC23H21F3N2O2S
Molecular Weight446.49 g/mol
Exact Mass446.13
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
SMILESO=C(CSc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C23H21F3N2O2S/c24-23(25,26)17-8-9-20(28-10-12-30-13-11-28)19(14-17)27-22(29)15-31-21-7-3-5-16-4-1-2-6-18(16)21/h1-9,14H,10-13,15H2,(H,27,29)
InChIKeyMQCONFMZIXWMMO-UHFFFAOYSA-N
XLogP5.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2437347
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2234072
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide
CID 2548899
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1009399
N-(3-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 24687588
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 4831200
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 108807350
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2979744
2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 4818454
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55518247
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
2-(1-methylimidazol-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3540830

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide (CID 39923349) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide is O=C(CSc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is MQCONFMZIXWMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2S/c24-23(25,26)17-8-9-20(28-10-12-30-13-11-28)19(14-17)27-22(29)15-31-21-7-3-5-16-4-1-2-6-18(16)21/h1-9,14H,10-13,15H2,(H,27,29).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 446.49 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 39923349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).