2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide

C16H14ClN5OS2 — CID 2610440

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5OS2/c1-24-14-5-3-2-4-13(14)18-15(23)10-25-16-19-20-21-22(16)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyJUFPQEVREQZSNF-UHFFFAOYSA-N
MW391.91 g/mol
LogP3.77
Rot. Bonds6

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2610440) has the molecular formula C16H14ClN5OS2 and a molecular weight of 391.91 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2610440
Molecular FormulaC16H14ClN5OS2
Molecular Weight391.91 g/mol
Exact Mass391.03
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5OS2/c1-24-14-5-3-2-4-13(14)18-15(23)10-25-16-19-20-21-22(16)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23)
InChIKeyJUFPQEVREQZSNF-UHFFFAOYSA-N
XLogP3.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide (CID 2610440) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CSc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is JUFPQEVREQZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS2/c1-24-14-5-3-2-4-13(14)18-15(23)10-25-16-19-20-21-22(16)12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 391.91 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2610440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).