(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C18H18F3NOS — CID 92801483

IUPAC(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NOS/c1-12-6-8-16(9-7-12)24-13(2)17(23)22-11-14-4-3-5-15(10-14)18(19,20)21/h3-10,13H,11H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyBISJUMGZMVGBHY-CYBMUJFWSA-N
MW353.41 g/mol
LogP4.81
Rot. Bonds5

About (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 92801483) has the molecular formula C18H18F3NOS and a molecular weight of 353.41 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID92801483
Molecular FormulaC18H18F3NOS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NOS/c1-12-6-8-16(9-7-12)24-13(2)17(23)22-11-14-4-3-5-15(10-14)18(19,20)21/h3-10,13H,11H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyBISJUMGZMVGBHY-CYBMUJFWSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546648
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546639
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]propanamide
CID 92675964
2-(4-methyl-N-methylsulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 133160439
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78760732
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
2-(4-methylphenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190400
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 92801483) is (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is Cc1ccc(S[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is BISJUMGZMVGBHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18F3NOS/c1-12-6-8-16(9-7-12)24-13(2)17(23)22-11-14-4-3-5-15(10-14)18(19,20)21/h3-10,13H,11H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
(2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 353.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 92801483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).