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

C23H24F3N3O2S — CID 20902356

IUPACN,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H24F3N3O2S/c1-3-28(4-2)22(31)14-29-13-20(16-9-5-8-12-19(16)29)32-15-21(30)27-18-11-7-6-10-17(18)23(24,25)26/h5-13H,3-4,14-15H2,1-2H3,(H,27,30)
InChIKeyVJAOPAGUSQNSCJ-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.26
Rot. Bonds8

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

N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide (PubChem CID 20902356) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide
PubChem CID20902356
Molecular FormulaC23H24F3N3O2S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC NameN,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H24F3N3O2S/c1-3-28(4-2)22(31)14-29-13-20(16-9-5-8-12-19(16)29)32-15-21(30)27-18-11-7-6-10-17(18)23(24,25)26/h5-13H,3-4,14-15H2,1-2H3,(H,27,30)
InChIKeyVJAOPAGUSQNSCJ-UHFFFAOYSA-N
XLogP5.26
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 27637919
ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
CID 20902365
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902343
3,4-dimethoxy-N-[2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4084511
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
N-[2-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 3646294
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 4649358
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55755141
N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 5067210

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide (CID 20902356) is N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide is CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide?
The InChIKey is VJAOPAGUSQNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/c1-3-28(4-2)22(31)14-29-13-20(16-9-5-8-12-19(16)29)32-15-21(30)27-18-11-7-6-10-17(18)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-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide?
N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide has a molecular weight of 463.53 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]acetamide is sourced from PubChem (CID 20902356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).