2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

C17H18N6O4S — CID 2613931

IUPAC2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C17H18N6O4S/c1-2-26-14-8-4-3-7-13(14)23-17(20-21-22-23)28-11-15(24)19-16(25)18-10-12-6-5-9-27-12/h3-9H,2,10-11H2,1H3,(H2,18,19,24,25)
InChIKeyBIWZPJKUJSDXGE-UHFFFAOYSA-N
MW402.44 g/mol
LogP1.77
Rot. Bonds8

About 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2613931) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2613931
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC Name2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C17H18N6O4S/c1-2-26-14-8-4-3-7-13(14)23-17(20-21-22-23)28-11-15(24)19-16(25)18-10-12-6-5-9-27-12/h3-9H,2,10-11H2,1H3,(H2,18,19,24,25)
InChIKeyBIWZPJKUJSDXGE-UHFFFAOYSA-N
XLogP1.77
TPSA124.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[4-(4-Fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide
CID 1080944
N-({[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N'-methylurea
CID 990336
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
2-[5-Furan-2-yl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 3214961
2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-methoxyphenyl)acetamide
CID 663014
2-[5-Furan-2-yl-4-(2-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-methyl-acetamide
CID 644902
Furan-2-carboxylic acid {3-[2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 646208
Furan-2-carboxylic acid {3-[2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 654638
N-Furan-2-ylmethyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 673910
2-{4-(2-Ethoxy-phenyl)-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-furan-2-ylmethyl-acetamide
CID 1154975
2-[[5-(furan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 1457274
N-(furan-2-ylmethylcarbamoyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2608862

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2613931) is 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is BIWZPJKUJSDXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S/c1-2-26-14-8-4-3-7-13(14)23-17(20-21-22-23)28-11-15(24)19-16(25)18-10-12-6-5-9-27-12/h3-9H,2,10-11H2,1H3,(H2,18,19,24,25).
What are the key properties of 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 402.44 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2613931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).