2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide

C22H24N6O2S — CID 649899

IUPAC2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C22H24N6O2S/c1-16(29)17-8-7-9-18(14-17)28-22(24-25-26-28)31-15-21(30)23-19-10-3-4-11-20(19)27-12-5-2-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,30)
InChIKeyFLMOSCAEMIGKSU-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.59
Rot. Bonds7

About 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide

2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 649899) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID649899
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C22H24N6O2S/c1-16(29)17-8-7-9-18(14-17)28-22(24-25-26-28)31-15-21(30)23-19-10-3-4-11-20(19)27-12-5-2-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,30)
InChIKeyFLMOSCAEMIGKSU-UHFFFAOYSA-N
XLogP3.59
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide (CID 649899) is 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide is CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)c1.
What is the InChIKey of 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is FLMOSCAEMIGKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-16(29)17-8-7-9-18(14-17)28-22(24-25-26-28)31-15-21(30)23-19-10-3-4-11-20(19)27-12-5-2-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,30).
What are the key properties of 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 436.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-acetylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 649899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).