2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide

C16H25N5O2S — CID 8581569

IUPAC2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
SMILESCCCC[C@@H](CC)CNC(=O)CSc1nnc(-c2ccco2)n1N
InChIInChI=1S/C16H25N5O2S/c1-3-5-7-12(4-2)10-18-14(22)11-24-16-20-19-15(21(16)17)13-8-6-9-23-13/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyXRBLVWQUVGGQGK-GFCCVEGCSA-N
MW351.48 g/mol
LogP2.68
Rot. Bonds10

About 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide (PubChem CID 8581569) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide.

Molecular Properties

Compound Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
PubChem CID8581569
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
SMILESCCCC[C@@H](CC)CNC(=O)CSc1nnc(-c2ccco2)n1N
InChIInChI=1S/C16H25N5O2S/c1-3-5-7-12(4-2)10-18-14(22)11-24-16-20-19-15(21(16)17)13-8-6-9-23-13/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyXRBLVWQUVGGQGK-GFCCVEGCSA-N
XLogP2.68
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide with MolForge

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Related Compounds

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7273135
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7638048
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-2-(2,4-dichlorophenyl)pentyl]acetamide
CID 40794964
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4852586
ethyl N-[2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 4852588
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8581541
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide
CID 27929330
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 84602258
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 134046005
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-tert-butylphenoxy)ethyl]acetamide
CID 8581544
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 7416445
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-ethylhexyl]acetamide
CID 8977443

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide?
The IUPAC name of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide (CID 8581569) is 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide.
What is the SMILES notation for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide?
The canonical SMILES for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide is CCCC[C@@H](CC)CNC(=O)CSc1nnc(-c2ccco2)n1N.
What is the InChIKey of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide?
The InChIKey is XRBLVWQUVGGQGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-3-5-7-12(4-2)10-18-14(22)11-24-16-20-19-15(21(16)17)13-8-6-9-23-13/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide?
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide has a molecular weight of 351.48 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide is sourced from PubChem (CID 8581569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).