(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

C12H16F3N3O2S — CID 124625732

IUPAC(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESC[C@H](N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1cccs1
InChIInChI=1S/C12H16F3N3O2S/c1-7(9-4-3-5-21-9)17-8(2)10(19)18-11(20)16-6-12(13,14)15/h3-5,7-8,17H,6H2,1-2H3,(H2,16,18,19,20)/t7-,8+/m0/s1
InChIKeyDOBAASBEIWFYPI-JGVFFNPUSA-N
MW323.34 g/mol
LogP2.18
Rot. Bonds5

About (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (PubChem CID 124625732) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
PubChem CID124625732
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESC[C@H](N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1cccs1
InChIInChI=1S/C12H16F3N3O2S/c1-7(9-4-3-5-21-9)17-8(2)10(19)18-11(20)16-6-12(13,14)15/h3-5,7-8,17H,6H2,1-2H3,(H2,16,18,19,20)/t7-,8+/m0/s1
InChIKeyDOBAASBEIWFYPI-JGVFFNPUSA-N
XLogP2.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)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-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 129402672
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
N-propan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43398665
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
2-(3-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 122141662
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136398
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78808512

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (CID 124625732) is (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is C[C@H](N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1cccs1.
What is the InChIKey of (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The InChIKey is DOBAASBEIWFYPI-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-7(9-4-3-5-21-9)17-8(2)10(19)18-11(20)16-6-12(13,14)15/h3-5,7-8,17H,6H2,1-2H3,(H2,16,18,19,20)/t7-,8+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide has a molecular weight of 323.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is sourced from PubChem (CID 124625732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).