N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide

C21H24N4OS — CID 156510841

IUPACN-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(CCSc2n[nH]c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H24N4OS/c1-15-3-9-19(10-4-15)20-23-21(25-24-20)27-14-12-18-7-5-17(6-8-18)11-13-22-16(2)26/h3-10H,11-14H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyFWQDLJNCICBBTI-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.79
Rot. Bonds8

About N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide

N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide (PubChem CID 156510841) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide
PubChem CID156510841
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(CCSc2n[nH]c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H24N4OS/c1-15-3-9-19(10-4-15)20-23-21(25-24-20)27-14-12-18-7-5-17(6-8-18)11-13-22-16(2)26/h3-10H,11-14H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyFWQDLJNCICBBTI-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide with MolForge

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Related Compounds

N-[2-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 17433213
N-[2-(4-methoxyphenyl)ethyl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7818640
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 132858035
N-(2-phenylethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3299041
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
N-[2-(4-methoxyphenyl)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667335
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 42894088
N-(methylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7557065
N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide
CID 8011296
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
(2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7557137

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide (CID 156510841) is N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(CCSc2n[nH]c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide?
The InChIKey is FWQDLJNCICBBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15-3-9-19(10-4-15)20-23-21(25-24-20)27-14-12-18-7-5-17(6-8-18)11-13-22-16(2)26/h3-10H,11-14H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide has a molecular weight of 380.52 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 156510841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).