2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

C17H23N7OS2 — CID 86935717

IUPAC2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCn1c(SCC(=O)NCCc2nncn2C(C)C)nnc1-c1cccs1
InChIInChI=1S/C17H23N7OS2/c1-4-23-16(13-6-5-9-26-13)21-22-17(23)27-10-15(25)18-8-7-14-20-19-11-24(14)12(2)3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,18,25)
InChIKeyWWWJTRCHHIGOTP-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.65
Rot. Bonds9

About 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 86935717) has the molecular formula C17H23N7OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID86935717
Molecular FormulaC17H23N7OS2
Molecular Weight405.55 g/mol
Exact Mass405.14
IUPAC Name2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCn1c(SCC(=O)NCCc2nncn2C(C)C)nnc1-c1cccs1
InChIInChI=1S/C17H23N7OS2/c1-4-23-16(13-6-5-9-26-13)21-22-17(23)27-10-15(25)18-8-7-14-20-19-11-24(14)12(2)3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,18,25)
InChIKeyWWWJTRCHHIGOTP-UHFFFAOYSA-N
XLogP2.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7181840
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 3369409
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 2586416
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2448165
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 2704496
[2-oxo-2-(propylamino)ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 42154097
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 6915654
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7181909
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 112764736
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18097647
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2586519
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 112763596

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 86935717) is 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is CCn1c(SCC(=O)NCCc2nncn2C(C)C)nnc1-c1cccs1.
What is the InChIKey of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is WWWJTRCHHIGOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7OS2/c1-4-23-16(13-6-5-9-26-13)21-22-17(23)27-10-15(25)18-8-7-14-20-19-11-24(14)12(2)3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,18,25).
What are the key properties of 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 405.55 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 86935717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).