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

C19H22N6O3S2 — CID 11640879

IUPACN-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(C)c1
InChIInChI=1S/C19H22N6O3S2/c1-11-7-13(3)18(14(4)8-11)25-19(22-23-24-25)29-10-17(26)21-16-6-5-15(9-12(16)2)30(20,27)28/h5-9H,10H2,1-4H3,(H,21,26)(H2,20,27,28)
InChIKeyNZCOTRJLQYBXMH-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.27
Rot. Bonds6

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

N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 11640879) has the molecular formula C19H22N6O3S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID11640879
Molecular FormulaC19H22N6O3S2
Molecular Weight446.56 g/mol
Exact Mass446.12
IUPAC NameN-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(C)c1
InChIInChI=1S/C19H22N6O3S2/c1-11-7-13(3)18(14(4)8-11)25-19(22-23-24-25)29-10-17(26)21-16-6-5-15(9-12(16)2)30(20,27)28/h5-9H,10H2,1-4H3,(H,21,26)(H2,20,27,28)
InChIKeyNZCOTRJLQYBXMH-UHFFFAOYSA-N
XLogP2.27
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 11640879) is N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(C)c1.
What is the InChIKey of N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is NZCOTRJLQYBXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S2/c1-11-7-13(3)18(14(4)8-11)25-19(22-23-24-25)29-10-17(26)21-16-6-5-15(9-12(16)2)30(20,27)28/h5-9H,10H2,1-4H3,(H,21,26)(H2,20,27,28).
What are the key properties of N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 446.56 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 11640879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).