3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide

C19H19F3N2O3S — CID 78878766

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccccc2SC(F)(F)F)NC(C)=O)cc1
InChIInChI=1S/C19H19F3N2O3S/c1-12(25)23-16(13-7-9-14(27-2)10-8-13)11-18(26)24-15-5-3-4-6-17(15)28-19(20,21)22/h3-10,16H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMJUGOGBZCVSUGG-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.51
Rot. Bonds7

About 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide

3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide (PubChem CID 78878766) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
PubChem CID78878766
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccccc2SC(F)(F)F)NC(C)=O)cc1
InChIInChI=1S/C19H19F3N2O3S/c1-12(25)23-16(13-7-9-14(27-2)10-8-13)11-18(26)24-15-5-3-4-6-17(15)28-19(20,21)22/h3-10,16H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMJUGOGBZCVSUGG-UHFFFAOYSA-N
XLogP4.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555
3-acetamido-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17436814
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
(3S)-3-acetamido-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 51725796
3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 46531618
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 134027323

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide (CID 78878766) is 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide is COc1ccc(C(CC(=O)Nc2ccccc2SC(F)(F)F)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
The InChIKey is MJUGOGBZCVSUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c1-12(25)23-16(13-7-9-14(27-2)10-8-13)11-18(26)24-15-5-3-4-6-17(15)28-19(20,21)22/h3-10,16H,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide has a molecular weight of 412.43 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 78878766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).