2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C14H19N5O2S — CID 655930

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCc1ccco1
InChIInChI=1S/C14H19N5O2S/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/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,20)
InChIKeyKBNLOBOCCFTOIJ-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.18
Rot. Bonds6

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 655930) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID655930
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NCc1ccco1
InChIInChI=1S/C14H19N5O2S/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/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,20)
InChIKeyKBNLOBOCCFTOIJ-UHFFFAOYSA-N
XLogP2.18
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(Furan-2-ylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 857158
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))eth an-1-one
CID 1081022
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 1452258
N-Cyclopentyl-2-[5-furan-2-yl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 3181289
N-cyclopropyl-2-[[5-(furan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6465049
N-cyclohexyl-2-{[5-(furan-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6500235
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 8338647
N-cyclopentyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16329925
Furan-2-carboxylic acid {3-[2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 646208
N-Furan-2-ylmethyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 646536
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 650676

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 655930) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nnnn1C1CCCCC1)NCc1ccco1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KBNLOBOCCFTOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/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/h4,7-8,11H,1-3,5-6,9-10H2,(H,15,20).
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 321.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 655930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).