(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide

C23H27N5OS — CID 26344967

IUPAC(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
SMILESCn1c(CNC(=O)[C@@H](c2ccccc2)C2CCCC2)nnc1SCc1ccccn1
InChIInChI=1S/C23H27N5OS/c1-28-20(26-27-23(28)30-16-19-13-7-8-14-24-19)15-25-22(29)21(18-11-5-6-12-18)17-9-3-2-4-10-17/h2-4,7-10,13-14,18,21H,5-6,11-12,15-16H2,1H3,(H,25,29)/t21-/m0/s1
InChIKeyXNNCHVIWFXHQRR-NRFANRHFSA-N
MW421.57 g/mol
LogP4.09
Rot. Bonds8

About (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide

(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide (PubChem CID 26344967) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
PubChem CID26344967
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
SMILESCn1c(CNC(=O)[C@@H](c2ccccc2)C2CCCC2)nnc1SCc1ccccn1
InChIInChI=1S/C23H27N5OS/c1-28-20(26-27-23(28)30-16-19-13-7-8-14-24-19)15-25-22(29)21(18-11-5-6-12-18)17-9-3-2-4-10-17/h2-4,7-10,13-14,18,21H,5-6,11-12,15-16H2,1H3,(H,25,29)/t21-/m0/s1
InChIKeyXNNCHVIWFXHQRR-NRFANRHFSA-N
XLogP4.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide
CID 26359731
(2S)-2-cyclopentyl-N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 125171519
N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 6489485
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
N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide
CID 42432645
N-cyclopentyl-2-phenyl-3-pyridin-2-ylpropanamide
CID 110407019
4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 26348541
2-chloro-N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 3956130
N-[[4-methyl-5-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126177063
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 6489540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide (CID 26344967) is (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide is Cn1c(CNC(=O)[C@@H](c2ccccc2)C2CCCC2)nnc1SCc1ccccn1.
What is the InChIKey of (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide?
The InChIKey is XNNCHVIWFXHQRR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-28-20(26-27-23(28)30-16-19-13-7-8-14-24-19)15-25-22(29)21(18-11-5-6-12-18)17-9-3-2-4-10-17/h2-4,7-10,13-14,18,21H,5-6,11-12,15-16H2,1H3,(H,25,29)/t21-/m0/s1.
What are the key properties of (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide?
(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide has a molecular weight of 421.57 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 26344967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).