(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

C15H14ClF3N4OS — CID 30410656

IUPAC(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N4OS/c1-7(25-14-21-12(22-23-14)8-2-3-8)13(24)20-11-5-4-9(16)6-10(11)15(17,18)19/h4-8H,2-3H2,1H3,(H,20,24)(H,21,22,23)/t7-/m1/s1
InChIKeyWLFTXDLEQMNONU-SSDOTTSWSA-N
MW390.82 g/mol
LogP4.47
Rot. Bonds5

About (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 30410656) has the molecular formula C15H14ClF3N4OS and a molecular weight of 390.82 g/mol. Its IUPAC name is (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID30410656
Molecular FormulaC15H14ClF3N4OS
Molecular Weight390.82 g/mol
Exact Mass390.05
IUPAC Name(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N4OS/c1-7(25-14-21-12(22-23-14)8-2-3-8)13(24)20-11-5-4-9(16)6-10(11)15(17,18)19/h4-8H,2-3H2,1H3,(H,20,24)(H,21,22,23)/t7-/m1/s1
InChIKeyWLFTXDLEQMNONU-SSDOTTSWSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 24608025
(2S)-N-[(4-chlorophenyl)methyl]-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42410653
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 24573504
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 24600704
(2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40939172
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 8949300
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 18170027
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665594
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46660249
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 18141096
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 24500350

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 30410656) is (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is C[C@@H](Sc1n[nH]c(C2CC2)n1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is WLFTXDLEQMNONU-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H14ClF3N4OS/c1-7(25-14-21-12(22-23-14)8-2-3-8)13(24)20-11-5-4-9(16)6-10(11)15(17,18)19/h4-8H,2-3H2,1H3,(H,20,24)(H,21,22,23)/t7-/m1/s1.
What are the key properties of (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 390.82 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 30410656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).