2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide

C19H21N5OS — CID 562730

IUPAC2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C19H21N5OS/c1-14-8-9-17(12-15(14)2)24-19(21-22-23-24)26-13-18(25)20-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
InChIKeyDEWURXKOIUCCHZ-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.73
Rot. Bonds7

About 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 562730) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID562730
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C19H21N5OS/c1-14-8-9-17(12-15(14)2)24-19(21-22-23-24)26-13-18(25)20-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
InChIKeyDEWURXKOIUCCHZ-UHFFFAOYSA-N
XLogP2.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 562730) is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is DEWURXKOIUCCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-14-8-9-17(12-15(14)2)24-19(21-22-23-24)26-13-18(25)20-11-10-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,25).
What are the key properties of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 367.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 562730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).