2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C15H16N4O2S — CID 2823419

IUPAC2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCSCc1ccco1
InChIInChI=1S/C15H16N4O2S/c20-15(16-7-9-22-11-12-4-3-8-21-12)10-19-14-6-2-1-5-13(14)17-18-19/h1-6,8H,7,9-11H2,(H,16,20)
InChIKeyUCFSWBUWBQLNEJ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.07
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2823419) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2823419
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCSCc1ccco1
InChIInChI=1S/C15H16N4O2S/c20-15(16-7-9-22-11-12-4-3-8-21-12)10-19-14-6-2-1-5-13(14)17-18-19/h1-6,8H,7,9-11H2,(H,16,20)
InChIKeyUCFSWBUWBQLNEJ-UHFFFAOYSA-N
XLogP2.07
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzotriazol-1-yl)-N'-[(1E)-1-(furan-2-yl)ethylidene]acetohydrazide
CID 9593598
3-(1H-1,2,3-Benzotriazol-1-YL)-N'-(1-(2-furyl)ethylidene)propanohydrazide
CID 9615773
2-[(2-Benzotriazol-1-yl-acetyl)-thiophen-2-ylmethyl-amino]-N-cyclohexyl-2-furan-2-yl-acetamide
CID 653999
2-[(2-Benzotriazol-1-yl-acetyl)-thiophen-2-ylmethyl-amino]-2-furan-2-yl-N-furan-2-ylmethyl-acetamide
CID 3206178
2-(1H-1,2,3-benzotriazol-1-yl)-N'-[(5-methyl-2-furyl)methylene]acetohydrazide
CID 5412738
2-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-N-furan-2-ylmethyl-acetamide
CID 6602598
2-[(2-Benzotriazol-1-yl-acetyl)-benzyl-amino]-N-furan-2-ylmethyl-2-thiophen-2-yl-acetamide
CID 654498
N-(furan-2-ylmethyl)benzotriazole-1-carboxamide
CID 58271154
2-(1H-benzotriazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
CID 9557236
2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide
CID 162625290
2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 3206351
2-(Benzotriazol-1-ylmethyl)furan
CID 3724645

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2823419) is 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is O=C(Cn1nnc2ccccc21)NCCSCc1ccco1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is UCFSWBUWBQLNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-15(16-7-9-22-11-12-4-3-8-21-12)10-19-14-6-2-1-5-13(14)17-18-19/h1-6,8H,7,9-11H2,(H,16,20).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 316.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2823419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).