2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide

C14H12N6O4S — CID 55498993

IUPAC2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1Cc1ccco1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N6O4S/c21-13(15-11-5-1-2-6-12(11)20(22)23)9-25-14-16-17-18-19(14)8-10-4-3-7-24-10/h1-7H,8-9H2,(H,15,21)
InChIKeyFHOROLTUOJGLOH-UHFFFAOYSA-N
MW360.36 g/mol
LogP1.95
Rot. Bonds7

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

2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide (PubChem CID 55498993) has the molecular formula C14H12N6O4S and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
PubChem CID55498993
Molecular FormulaC14H12N6O4S
Molecular Weight360.36 g/mol
Exact Mass360.06
IUPAC Name2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1Cc1ccco1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N6O4S/c21-13(15-11-5-1-2-6-12(11)20(22)23)9-25-14-16-17-18-19(14)8-10-4-3-7-24-10/h1-7H,8-9H2,(H,15,21)
InChIKeyFHOROLTUOJGLOH-UHFFFAOYSA-N
XLogP1.95
TPSA128.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 18140670
N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140664
N-benzyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140656
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-(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-(3-propan-2-ylphenyl)acetamide
CID 24601610
3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 46632859
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7688111
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 18140834

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide (CID 55498993) is 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide is O=C(CSc1nnnn1Cc1ccco1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The InChIKey is FHOROLTUOJGLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O4S/c21-13(15-11-5-1-2-6-12(11)20(22)23)9-25-14-16-17-18-19(14)8-10-4-3-7-24-10/h1-7H,8-9H2,(H,15,21).
What are the key properties of 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide has a molecular weight of 360.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 55498993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).