N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide

C18H18N4O2S2 — CID 8011296

IUPACN-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)s1
InChIInChI=1S/C18H18N4O2S2/c1-11-3-5-13(6-4-11)17-20-18(22-21-17)25-10-15(24)16-8-7-14(26-16)9-19-12(2)23/h3-8H,9-10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyASXJCIXAAKIGME-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.45
Rot. Bonds7

About N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 8011296) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide
PubChem CID8011296
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)s1
InChIInChI=1S/C18H18N4O2S2/c1-11-3-5-13(6-4-11)17-20-18(22-21-17)25-10-15(24)16-8-7-14(26-16)9-19-12(2)23/h3-8H,9-10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyASXJCIXAAKIGME-UHFFFAOYSA-N
XLogP3.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methyl]acetamide
CID 17395719
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone
CID 7897833
1-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7818279
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 7557040
N-[2-[4-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]phenyl]ethyl]acetamide
CID 156510841
N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7557212
N-(methylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7557065
1-(3-bromophenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7818863
1-(4-methylphenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 92644495
N-[2-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 17433213
1-(2,4-dimethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 772030
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 7818883

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide (CID 8011296) is N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)CSc2n[nH]c(-c3ccc(C)cc3)n2)s1.
What is the InChIKey of N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is ASXJCIXAAKIGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11-3-5-13(6-4-11)17-20-18(22-21-17)25-10-15(24)16-8-7-14(26-16)9-19-12(2)23/h3-8H,9-10H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 8011296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).