2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide

C20H23N5OS2 — CID 7300163

IUPAC2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
SMILESNn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1cccs1
InChIInChI=1S/C20H23N5OS2/c21-25-19(17-12-7-13-27-17)22-23-20(25)28-14-18(26)24(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14,21H2
InChIKeyZTQHYPACELJPJB-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.18
Rot. Bonds6

About 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide

2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide (PubChem CID 7300163) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
PubChem CID7300163
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC Name2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
SMILESNn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1cccs1
InChIInChI=1S/C20H23N5OS2/c21-25-19(17-12-7-13-27-17)22-23-20(25)28-14-18(26)24(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14,21H2
InChIKeyZTQHYPACELJPJB-UHFFFAOYSA-N
XLogP4.18
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide with MolForge

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Related Compounds

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
CID 7977553
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7272956
N-cyclohexyl-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 16518606
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34588880
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 2410445
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide
CID 9450800
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 5019429
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-cyclopropylethyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42051879
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 16610753
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 7272688
N-cyclohexyl-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 16536845
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2567274

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide?
The IUPAC name of 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide (CID 7300163) is 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide.
What is the SMILES notation for 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide?
The canonical SMILES for 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide is Nn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1cccs1.
What is the InChIKey of 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide?
The InChIKey is ZTQHYPACELJPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS2/c21-25-19(17-12-7-13-27-17)22-23-20(25)28-14-18(26)24(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14,21H2.
What are the key properties of 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide?
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide has a molecular weight of 413.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide is sourced from PubChem (CID 7300163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).