N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C18H20N6O3S2 — CID 11697734

IUPACN-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H20N6O3S2/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)28-10-16(25)20-14-4-6-15(7-5-14)29(19,26)27/h4-9H,10H2,1-3H3,(H,20,25)(H2,19,26,27)
InChIKeyXSLXWOXOADEZOG-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.97
Rot. Bonds6

About N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 11697734) has the molecular formula C18H20N6O3S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID11697734
Molecular FormulaC18H20N6O3S2
Molecular Weight432.53 g/mol
Exact Mass432.10
IUPAC NameN-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H20N6O3S2/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)28-10-16(25)20-14-4-6-15(7-5-14)29(19,26)27/h4-9H,10H2,1-3H3,(H,20,25)(H2,19,26,27)
InChIKeyXSLXWOXOADEZOG-UHFFFAOYSA-N
XLogP1.97
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 11697734) is N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is XSLXWOXOADEZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S2/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)28-10-16(25)20-14-4-6-15(7-5-14)29(19,26)27/h4-9H,10H2,1-3H3,(H,20,25)(H2,19,26,27).
What are the key properties of N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 432.53 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 11697734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).