N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide

C20H22F3N3O2S — CID 43027452

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H22F3N3O2S/c1-4-14-7-5-6-8-16(14)25-17(27)12-26(3)19(28)13(2)29-18-10-9-15(11-24-18)20(21,22)23/h5-11,13H,4,12H2,1-3H3,(H,25,27)
InChIKeyIDDDNEWPQUERBK-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.24
Rot. Bonds7

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide (PubChem CID 43027452) has the molecular formula C20H22F3N3O2S and a molecular weight of 425.48 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
PubChem CID43027452
Molecular FormulaC20H22F3N3O2S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C(C)Sc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C20H22F3N3O2S/c1-4-14-7-5-6-8-16(14)25-17(27)12-26(3)19(28)13(2)29-18-10-9-15(11-24-18)20(21,22)23/h5-11,13H,4,12H2,1-3H3,(H,25,27)
InChIKeyIDDDNEWPQUERBK-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide with MolForge

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanyl-N-methylpropanamide
CID 42988681
2-[2-(dimethylamino)ethylsulfanyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 71856374
1-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-one
CID 43426391
(2R)-N-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 95900158
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55333062
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-3-methoxy-N-methylpropanamide
CID 120983235
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55439456
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 55180135
N-[(2S,3S)-3-methyl-1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopentan-2-yl]benzamide
CID 24545770
N-(2-ethylphenyl)-2-[methyl-[2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 2545703

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide (CID 43027452) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide is CCc1ccccc1NC(=O)CN(C)C(=O)C(C)Sc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is IDDDNEWPQUERBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2S/c1-4-14-7-5-6-8-16(14)25-17(27)12-26(3)19(28)13(2)29-18-10-9-15(11-24-18)20(21,22)23/h5-11,13H,4,12H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 425.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 43027452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).