N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C15H15N5O3S — CID 656266

IUPACN-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1
InChIInChI=1S/C15H15N5O3S/c1-22-12-5-2-4-11(8-12)20-15(17-18-19-20)24-10-14(21)16-9-13-6-3-7-23-13/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyNWXCZKAEGMEEDC-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.67
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 656266) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID656266
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1
InChIInChI=1S/C15H15N5O3S/c1-22-12-5-2-4-11(8-12)20-15(17-18-19-20)24-10-14(21)16-9-13-6-3-7-23-13/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyNWXCZKAEGMEEDC-UHFFFAOYSA-N
XLogP1.67
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 656266) is N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is NWXCZKAEGMEEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-22-12-5-2-4-11(8-12)20-15(17-18-19-20)24-10-14(21)16-9-13-6-3-7-23-13/h2-8H,9-10H2,1H3,(H,16,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 345.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 656266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).