(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide

C23H25FN4OS — CID 125171519

IUPAC(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
SMILESCSc1nnc(CNC(=O)[C@H](c2ccccc2)C2CCCC2)n1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4OS/c1-30-23-27-26-20(28(23)19-13-11-18(24)12-14-19)15-25-22(29)21(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,11-14,17,21H,5-6,9-10,15H2,1H3,(H,25,29)/t21-/m1/s1
InChIKeyMUXVDEDCUHXZJW-OAQYLSRUSA-N
MW424.55 g/mol
LogP4.72
Rot. Bonds7

About (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide

(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide (PubChem CID 125171519) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
PubChem CID125171519
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC Name(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
SMILESCSc1nnc(CNC(=O)[C@H](c2ccccc2)C2CCCC2)n1-c1ccc(F)cc1
InChIInChI=1S/C23H25FN4OS/c1-30-23-27-26-20(28(23)19-13-11-18(24)12-14-19)15-25-22(29)21(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,11-14,17,21H,5-6,9-10,15H2,1H3,(H,25,29)/t21-/m1/s1
InChIKeyMUXVDEDCUHXZJW-OAQYLSRUSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide with MolForge

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Related Compounds

(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 26344967
N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 42332517
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-phenylbutanamide
CID 5097229
2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 122567382
(2S)-2-cyclopentyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 125444165
(E)-3-(3-fluorophenyl)-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide
CID 42363493
acetic acid;ethane;4-fluoro-N-[[4-(4-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]aniline
CID 143108399
(2R)-N-(ethylcarbamoyl)-2-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41258733
3-[[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)propanamide
CID 17495817
N-[[4-(4-fluorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide
CID 1441468
N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 26362534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide (CID 125171519) is (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide is CSc1nnc(CNC(=O)[C@H](c2ccccc2)C2CCCC2)n1-c1ccc(F)cc1.
What is the InChIKey of (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide?
The InChIKey is MUXVDEDCUHXZJW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25FN4OS/c1-30-23-27-26-20(28(23)19-13-11-18(24)12-14-19)15-25-22(29)21(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,11-14,17,21H,5-6,9-10,15H2,1H3,(H,25,29)/t21-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide?
(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide has a molecular weight of 424.55 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 125171519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).