N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide

C22H24F3N3O3S — CID 24979562

IUPACN-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C22H24F3N3O3S/c1-15-2-5-17(6-3-15)26-20(29)13-32-14-21(30)27-18-12-16(22(23,24)25)4-7-19(18)28-8-10-31-11-9-28/h2-7,12H,8-11,13-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyBIEIJWQFXKLMRW-UHFFFAOYSA-N
MW467.51 g/mol
LogP4.16
Rot. Bonds7

About N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide

N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide (PubChem CID 24979562) has the molecular formula C22H24F3N3O3S and a molecular weight of 467.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
PubChem CID24979562
Molecular FormulaC22H24F3N3O3S
Molecular Weight467.51 g/mol
Exact Mass467.15
IUPAC NameN-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
InChIInChI=1S/C22H24F3N3O3S/c1-15-2-5-17(6-3-15)26-20(29)13-32-14-21(30)27-18-12-16(22(23,24)25)4-7-19(18)28-8-10-31-11-9-28/h2-7,12H,8-11,13-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyBIEIJWQFXKLMRW-UHFFFAOYSA-N
XLogP4.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide (CID 24979562) is N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is BIEIJWQFXKLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3S/c1-15-2-5-17(6-3-15)26-20(29)13-32-14-21(30)27-18-12-16(22(23,24)25)4-7-19(18)28-8-10-31-11-9-28/h2-7,12H,8-11,13-14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide?
N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 467.51 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 24979562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).