(2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide

C19H23F3N2OS — CID 157131273

IUPAC(2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide
SMILESCc1ccsc1-c1ccc([C@H](NC(=O)[C@@H](N)CC(C)C)C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2OS/c1-11(2)10-15(23)18(25)24-17(19(20,21)22)14-6-4-13(5-7-14)16-12(3)8-9-26-16/h4-9,11,15,17H,10,23H2,1-3H3,(H,24,25)/t15-,17-/m0/s1
InChIKeyAJCJSPGQYGVYMP-RDJZCZTQSA-N
MW384.47 g/mol
LogP4.82
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide (PubChem CID 157131273) has the molecular formula C19H23F3N2OS and a molecular weight of 384.47 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide
PubChem CID157131273
Molecular FormulaC19H23F3N2OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name(2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide
SMILESCc1ccsc1-c1ccc([C@H](NC(=O)[C@@H](N)CC(C)C)C(F)(F)F)cc1
InChIInChI=1S/C19H23F3N2OS/c1-11(2)10-15(23)18(25)24-17(19(20,21)22)14-6-4-13(5-7-14)16-12(3)8-9-26-16/h4-9,11,15,17H,10,23H2,1-3H3,(H,24,25)/t15-,17-/m0/s1
InChIKeyAJCJSPGQYGVYMP-RDJZCZTQSA-N
XLogP4.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide 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-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]amino]pentanamide
CID 10216537
(2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]pentanamide
CID 67298367
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
CID 79024176
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide (CID 157131273) is (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide is Cc1ccsc1-c1ccc([C@H](NC(=O)[C@@H](N)CC(C)C)C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide?
The InChIKey is AJCJSPGQYGVYMP-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H23F3N2OS/c1-11(2)10-15(23)18(25)24-17(19(20,21)22)14-6-4-13(5-7-14)16-12(3)8-9-26-16/h4-9,11,15,17H,10,23H2,1-3H3,(H,24,25)/t15-,17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide has a molecular weight of 384.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(3-methylthiophen-2-yl)phenyl]ethyl]pentanamide is sourced from PubChem (CID 157131273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).