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

C22H26N6OS — CID 648201

IUPAC2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)cc1C
InChIInChI=1S/C22H26N6OS/c1-16-10-11-18(14-17(16)2)28-22(24-25-26-28)30-15-21(29)23-19-8-4-5-9-20(19)27-12-6-3-7-13-27/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,29)
InChIKeyRBLJSVGHCPKDIB-UHFFFAOYSA-N
MW422.56 g/mol
LogP4.00
Rot. Bonds6

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

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 648201) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID648201
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)cc1C
InChIInChI=1S/C22H26N6OS/c1-16-10-11-18(14-17(16)2)28-22(24-25-26-28)30-15-21(29)23-19-8-4-5-9-20(19)27-12-6-3-7-13-27/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,29)
InChIKeyRBLJSVGHCPKDIB-UHFFFAOYSA-N
XLogP4.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 1332881
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CID 4893291
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2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
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CID 1250302
2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 1439317
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide (CID 648201) is 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is RBLJSVGHCPKDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-16-10-11-18(14-17(16)2)28-22(24-25-26-28)30-15-21(29)23-19-8-4-5-9-20(19)27-12-6-3-7-13-27/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,29).
What are the key properties of 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 422.56 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 648201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).