2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide

C24H28N4O2S — CID 46695285

IUPAC2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(Sc2n[nH]c(CCC3CCCC3)n2)c2ccccc2)cc1
InChIInChI=1S/C24H28N4O2S/c1-30-20-14-12-19(13-15-20)25-23(29)22(18-9-3-2-4-10-18)31-24-26-21(27-28-24)16-11-17-7-5-6-8-17/h2-4,9-10,12-15,17,22H,5-8,11,16H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyOCTXFXTYPLMBOF-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.41
Rot. Bonds9

About 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide

2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide (PubChem CID 46695285) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
PubChem CID46695285
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(Sc2n[nH]c(CCC3CCCC3)n2)c2ccccc2)cc1
InChIInChI=1S/C24H28N4O2S/c1-30-20-14-12-19(13-15-20)25-23(29)22(18-9-3-2-4-10-18)31-24-26-21(27-28-24)16-11-17-7-5-6-8-17/h2-4,9-10,12-15,17,22H,5-8,11,16H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyOCTXFXTYPLMBOF-UHFFFAOYSA-N
XLogP5.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide with MolForge

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Related Compounds

(2R)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 42411065
N-benzhydryl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46695557
N-(4-tert-butylphenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18291862
5-(2-cyclopentylethyl)-3-(1-phenylethylsulfanyl)-1H-1,2,4-triazole
CID 24649273
N-cyclopropyl-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134304
(2R)-N-(4-cyanophenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40799122
N-(3-chlorophenyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 55508900
(2S)-N-(4-methoxyphenyl)-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 41023427
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645368
2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 16587840
4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide
CID 16587918
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)propanamide
CID 134038648

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide (CID 46695285) is 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide is COc1ccc(NC(=O)C(Sc2n[nH]c(CCC3CCCC3)n2)c2ccccc2)cc1.
What is the InChIKey of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide?
The InChIKey is OCTXFXTYPLMBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-30-20-14-12-19(13-15-20)25-23(29)22(18-9-3-2-4-10-18)31-24-26-21(27-28-24)16-11-17-7-5-6-8-17/h2-4,9-10,12-15,17,22H,5-8,11,16H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide?
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide has a molecular weight of 436.58 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 46695285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).