2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C22H21N5OS — CID 1269301

IUPAC2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nnnn2-c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C22H21N5OS/c1-14-11-15(2)21(16(3)12-14)23-20(28)13-29-22-24-25-26-27(22)19-10-6-8-17-7-4-5-9-18(17)19/h4-12H,13H2,1-3H3,(H,23,28)
InChIKeyJFWXXRAXAQYZJV-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.47
Rot. Bonds5

About 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 1269301) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID1269301
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nnnn2-c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C22H21N5OS/c1-14-11-15(2)21(16(3)12-14)23-20(28)13-29-22-24-25-26-27(22)19-10-6-8-17-7-4-5-9-18(17)19/h4-12H,13H2,1-3H3,(H,23,28)
InChIKeyJFWXXRAXAQYZJV-UHFFFAOYSA-N
XLogP4.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 1269301) is 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2nnnn2-c2cccc3ccccc23)c(C)c1.
What is the InChIKey of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JFWXXRAXAQYZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-14-11-15(2)21(16(3)12-14)23-20(28)13-29-22-24-25-26-27(22)19-10-6-8-17-7-4-5-9-18(17)19/h4-12H,13H2,1-3H3,(H,23,28).
What are the key properties of 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 1269301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).