2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide

C19H14N6O3S — CID 3127025

IUPAC2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N6O3S/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)
InChIKeyAOSLCGQGWXABMG-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.45
Rot. Bonds6

About 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide

2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide (PubChem CID 3127025) has the molecular formula C19H14N6O3S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide
PubChem CID3127025
Molecular FormulaC19H14N6O3S
Molecular Weight406.43 g/mol
Exact Mass406.08
IUPAC Name2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H14N6O3S/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)
InChIKeyAOSLCGQGWXABMG-UHFFFAOYSA-N
XLogP3.45
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-(1-mesityl-1H-tetrazol-5-ylthio)-N-(2-nitrophenyl)acetamide
CID 5275061
3-[1-(1-naphthyl)tetrazol-5-yl]-N-(2-nitrophenyl)propanamide
CID 5275112
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275042
2-[1-(3-chloro-2-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275044
2-[1-(1-naphthyl)tetrazol-5-yl]oxy-N-(2-nitrophenyl)acetamide
CID 5275110
N-(2-methyl-4-nitro-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11647258
2-[1-(5-chloro-2-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 15956706
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 1017550
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
CID 4541202
N-(2-fluorophenyl)-2-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-acetamide
CID 1116753
N-(2-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2876978
N-(4-fluoro-2-nitro-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11690197

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide (CID 3127025) is 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide?
The InChIKey is AOSLCGQGWXABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3S/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26).
What are the key properties of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide?
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide has a molecular weight of 406.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3127025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).