N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide

C23H24F3N3O3S — CID 27637919

IUPACN,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C23H24F3N3O3S/c1-3-28(4-2)22(31)14-29-13-20(18-7-5-6-8-19(18)29)33-15-21(30)27-16-9-11-17(12-10-16)32-23(24,25)26/h5-13H,3-4,14-15H2,1-2H3,(H,27,30)
InChIKeyZCNQXVCDILRXEV-UHFFFAOYSA-N
MW479.52 g/mol
LogP5.14
Rot. Bonds9

About N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide

N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide (PubChem CID 27637919) has the molecular formula C23H24F3N3O3S and a molecular weight of 479.52 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
PubChem CID27637919
Molecular FormulaC23H24F3N3O3S
Molecular Weight479.52 g/mol
Exact Mass479.15
IUPAC NameN,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C23H24F3N3O3S/c1-3-28(4-2)22(31)14-29-13-20(18-7-5-6-8-19(18)29)33-15-21(30)27-16-9-11-17(12-10-16)32-23(24,25)26/h5-13H,3-4,14-15H2,1-2H3,(H,27,30)
InChIKeyZCNQXVCDILRXEV-UHFFFAOYSA-N
XLogP5.14
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343
2-[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902363
N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 20902356
ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
CID 20902365
2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate
CID 3420060
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
2-[3-[2-(cyclohexylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902364
2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4164690
N-[2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4096729
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366798

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide (CID 27637919) is N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide is CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide?
The InChIKey is ZCNQXVCDILRXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3S/c1-3-28(4-2)22(31)14-29-13-20(18-7-5-6-8-19(18)29)33-15-21(30)27-16-9-11-17(12-10-16)32-23(24,25)26/h5-13H,3-4,14-15H2,1-2H3,(H,27,30).
What are the key properties of N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide?
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide has a molecular weight of 479.52 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide is sourced from PubChem (CID 27637919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).