(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

C20H21F3N2O2S — CID 7729755

IUPAC(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2S/c1-3-14-8-10-15(11-9-14)24-18(26)12-28-13(2)19(27)25-17-7-5-4-6-16(17)20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeySEOBBGLZBNAUAP-CYBMUJFWSA-N
MW410.46 g/mol
LogP4.97
Rot. Bonds7

About (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 7729755) has the molecular formula C20H21F3N2O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID7729755
Molecular FormulaC20H21F3N2O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC Name(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2S/c1-3-14-8-10-15(11-9-14)24-18(26)12-28-13(2)19(27)25-17-7-5-4-6-16(17)20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeySEOBBGLZBNAUAP-CYBMUJFWSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1179845
(2S)-N-(2,5-dimethylphenyl)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanamide
CID 7729734
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55909370
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 134047380
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
(2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9097710
(2R)-2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-phenylpropanamide
CID 7731462
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 7730463
N-(2,6-diethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257905
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 78781372
N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 7729755) is (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is CCc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SEOBBGLZBNAUAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21F3N2O2S/c1-3-14-8-10-15(11-9-14)24-18(26)12-28-13(2)19(27)25-17-7-5-4-6-16(17)20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,26)(H,25,27)/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 410.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7729755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).