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

C19H16N6O3S2 — CID 5275084

IUPAC2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C19H16N6O3S2/c20-30(27,28)17-11-4-3-9-15(17)21-18(26)12-29-19-22-23-24-25(19)16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,21,26)(H2,20,27,28)
InChIKeyFGARZUUYBUOFJQ-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.19
Rot. Bonds6

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

2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide (PubChem CID 5275084) has the molecular formula C19H16N6O3S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide
PubChem CID5275084
Molecular FormulaC19H16N6O3S2
Molecular Weight440.51 g/mol
Exact Mass440.07
IUPAC Name2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C19H16N6O3S2/c20-30(27,28)17-11-4-3-9-15(17)21-18(26)12-29-19-22-23-24-25(19)16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,21,26)(H2,20,27,28)
InChIKeyFGARZUUYBUOFJQ-UHFFFAOYSA-N
XLogP2.19
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-phenylacetamide
CID 2265468
N-benzhydryl-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 1244330
N-[(2-hydroxyphenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 137228450
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 26650117
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588657
2-phenylsulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 78992086
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 71588654
ethyl 2-[[2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 1440796
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
N-[2-(difluoromethylsulfanyl)phenyl]-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 26644104
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 78761375

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide (CID 5275084) is 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide?
The InChIKey is FGARZUUYBUOFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S2/c20-30(27,28)17-11-4-3-9-15(17)21-18(26)12-29-19-22-23-24-25(19)16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,21,26)(H2,20,27,28).
What are the key properties of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide?
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2-sulfamoylphenyl)acetamide has a molecular weight of 440.51 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 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-sulfamoylphenyl)acetamide is sourced from PubChem (CID 5275084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).