N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C14H13N5O2S — CID 673910

IUPACN-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C14H13N5O2S/c20-13(15-9-12-7-4-8-21-12)10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20)
InChIKeyMZUZMRMUWFNWHW-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.66
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 673910) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID673910
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)NCc1ccco1
InChIInChI=1S/C14H13N5O2S/c20-13(15-9-12-7-4-8-21-12)10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20)
InChIKeyMZUZMRMUWFNWHW-UHFFFAOYSA-N
XLogP1.66
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 649855
2-((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-fluorophenyl)acetamide
CID 1258823
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
2-(5-Cyclohexyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 648868
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 650676
Furan-2-carboxylic acid {3-[2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 654638
N-Furan-2-ylmethyl-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655043
N~3~-(2-furylmethyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 884997

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 673910) is N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is MZUZMRMUWFNWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c20-13(15-9-12-7-4-8-21-12)10-22-14-16-17-18-19(14)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 315.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 673910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).