N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H17N5OS3 — CID 1006914

IUPACN-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1SC
InChIInChI=1S/C17H17N5OS3/c1-24-14-9-5-3-7-12(14)18-16(23)11-26-17-19-20-21-22(17)13-8-4-6-10-15(13)25-2/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyGLQNURAKZUUSGQ-UHFFFAOYSA-N
MW403.56 g/mol
LogP3.84
Rot. Bonds7

About N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1006914) has the molecular formula C17H17N5OS3 and a molecular weight of 403.56 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1006914
Molecular FormulaC17H17N5OS3
Molecular Weight403.56 g/mol
Exact Mass403.06
IUPAC NameN-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1SC
InChIInChI=1S/C17H17N5OS3/c1-24-14-9-5-3-7-12(14)18-16(23)11-26-17-19-20-21-22(17)13-8-4-6-10-15(13)25-2/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyGLQNURAKZUUSGQ-UHFFFAOYSA-N
XLogP3.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1006914) is N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide is CSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1SC.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is GLQNURAKZUUSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS3/c1-24-14-9-5-3-7-12(14)18-16(23)11-26-17-19-20-21-22(17)13-8-4-6-10-15(13)25-2/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 403.56 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-[1-(2-methylsulfanylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1006914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).