2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide

C17H19N5O2S — CID 24601610

IUPAC2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CSc2nnnn2Cc2ccco2)c1
InChIInChI=1S/C17H19N5O2S/c1-12(2)13-5-3-6-14(9-13)18-16(23)11-25-17-19-20-21-22(17)10-15-7-4-8-24-15/h3-9,12H,10-11H2,1-2H3,(H,18,23)
InChIKeyVGQILSHVHBQPCQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.17
Rot. Bonds7

About 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide

2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 24601610) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
PubChem CID24601610
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CSc2nnnn2Cc2ccco2)c1
InChIInChI=1S/C17H19N5O2S/c1-12(2)13-5-3-6-14(9-13)18-16(23)11-25-17-19-20-21-22(17)10-15-7-4-8-24-15/h3-9,12H,10-11H2,1-2H3,(H,18,23)
InChIKeyVGQILSHVHBQPCQ-UHFFFAOYSA-N
XLogP3.17
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 24576290
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 18140670
N-(2-ethyl-6-methylphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42104009
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 18140848
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 18140834
N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140664
N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
N-(5-chloro-2-pyridinyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693836
N-cyclopropyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 47138151
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46694179
N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42106138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide (CID 24601610) is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CSc2nnnn2Cc2ccco2)c1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is VGQILSHVHBQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12(2)13-5-3-6-14(9-13)18-16(23)11-25-17-19-20-21-22(17)10-15-7-4-8-24-15/h3-9,12H,10-11H2,1-2H3,(H,18,23).
What are the key properties of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 24601610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).