2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

C20H22N6O3S — CID 1073205

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H22N6O3S/c1-28-16-8-6-15(7-9-16)26-20(22-23-24-26)30-14-19(27)21-17-4-2-3-5-18(17)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,21,27)
InChIKeyHYVQPIBLBIHKOI-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.24
Rot. Bonds7

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 1073205) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID1073205
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H22N6O3S/c1-28-16-8-6-15(7-9-16)26-20(22-23-24-26)30-14-19(27)21-17-4-2-3-5-18(17)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,21,27)
InChIKeyHYVQPIBLBIHKOI-UHFFFAOYSA-N
XLogP2.24
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide (CID 1073205) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is HYVQPIBLBIHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-28-16-8-6-15(7-9-16)26-20(22-23-24-26)30-14-19(27)21-17-4-2-3-5-18(17)25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H,21,27).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 426.50 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 1073205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).