2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C27H34N6OS — CID 39913535

IUPAC2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C27H34N6OS/c34-26(28-21-27(16-8-2-9-17-27)32-18-10-3-11-19-32)23-14-6-7-15-24(23)35-20-25-29-30-31-33(25)22-12-4-1-5-13-22/h1,4-7,12-15H,2-3,8-11,16-21H2,(H,28,34)
InChIKeyOGNHUCFTEJSWPT-UHFFFAOYSA-N
MW490.68 g/mol
LogP4.87
Rot. Bonds8

About 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 39913535) has the molecular formula C27H34N6OS and a molecular weight of 490.68 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID39913535
Molecular FormulaC27H34N6OS
Molecular Weight490.68 g/mol
Exact Mass490.25
IUPAC Name2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C27H34N6OS/c34-26(28-21-27(16-8-2-9-17-27)32-18-10-3-11-19-32)23-14-6-7-15-24(23)35-20-25-29-30-31-33(25)22-12-4-1-5-13-22/h1,4-7,12-15H,2-3,8-11,16-21H2,(H,28,34)
InChIKeyOGNHUCFTEJSWPT-UHFFFAOYSA-N
XLogP4.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.68
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 39913535) is 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1ccccc1SCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is OGNHUCFTEJSWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6OS/c34-26(28-21-27(16-8-2-9-17-27)32-18-10-3-11-19-32)23-14-6-7-15-24(23)35-20-25-29-30-31-33(25)22-12-4-1-5-13-22/h1,4-7,12-15H,2-3,8-11,16-21H2,(H,28,34).
What are the key properties of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 490.68 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 39913535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).