2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide

C16H20ClN5OS — CID 4815048

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClN5OS/c1-11-2-6-13(7-3-11)18-15(23)10-24-16-19-20-21-22(16)14-8-4-12(17)5-9-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,23)
InChIKeyJDCYZYMGCHVGIX-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 4815048) has the molecular formula C16H20ClN5OS and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
PubChem CID4815048
Molecular FormulaC16H20ClN5OS
Molecular Weight365.89 g/mol
Exact Mass365.11
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H20ClN5OS/c1-11-2-6-13(7-3-11)18-15(23)10-24-16-19-20-21-22(16)14-8-4-12(17)5-9-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,23)
InChIKeyJDCYZYMGCHVGIX-UHFFFAOYSA-N
XLogP3.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide (CID 4815048) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is JDCYZYMGCHVGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5OS/c1-11-2-6-13(7-3-11)18-15(23)10-24-16-19-20-21-22(16)14-8-4-12(17)5-9-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,23).
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 365.89 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 4815048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).