(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

C20H22F3NOS — CID 7468566

IUPAC(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(C)c(C)c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C20H22F3NOS/c1-11-10-12(2)14(4)18(13(11)3)26-15(5)19(25)24-17-8-6-16(7-9-17)20(21,22)23/h6-10,15H,1-5H3,(H,24,25)/t15-/m0/s1
InChIKeyIBNVTYHDSNKKJN-HNNXBMFYSA-N
MW381.46 g/mol
LogP6.06
Rot. Bonds4

About (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 7468566) has the molecular formula C20H22F3NOS and a molecular weight of 381.46 g/mol. Its IUPAC name is (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID7468566
Molecular FormulaC20H22F3NOS
Molecular Weight381.46 g/mol
Exact Mass381.14
IUPAC Name(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1cc(C)c(C)c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C20H22F3NOS/c1-11-10-12(2)14(4)18(13(11)3)26-15(5)19(25)24-17-8-6-16(7-9-17)20(21,22)23/h6-10,15H,1-5H3,(H,24,25)/t15-/m0/s1
InChIKeyIBNVTYHDSNKKJN-HNNXBMFYSA-N
XLogP6.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]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

(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 7484755
(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7402921
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7845230
(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 25496828
2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 136684699
(2R)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7183339
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42975038
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 136684499
2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 17496516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 7468566) is (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1cc(C)c(C)c(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is IBNVTYHDSNKKJN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22F3NOS/c1-11-10-12(2)14(4)18(13(11)3)26-15(5)19(25)24-17-8-6-16(7-9-17)20(21,22)23/h6-10,15H,1-5H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 381.46 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7468566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).