2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide

C16H20N6O2S — CID 1455226

IUPAC2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N6O2S/c1-11(23)17-13-6-8-14(9-7-13)22-16(19-20-21-22)25-10-15(24)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,23)(H,18,24)
InChIKeyDKUIODGGAZFBAR-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.77
Rot. Bonds6

About 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide

2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide (PubChem CID 1455226) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide
PubChem CID1455226
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N6O2S/c1-11(23)17-13-6-8-14(9-7-13)22-16(19-20-21-22)25-10-15(24)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,23)(H,18,24)
InChIKeyDKUIODGGAZFBAR-UHFFFAOYSA-N
XLogP1.77
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide (CID 1455226) is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide is CC(=O)Nc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide?
The InChIKey is DKUIODGGAZFBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-11(23)17-13-6-8-14(9-7-13)22-16(19-20-21-22)25-10-15(24)18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,23)(H,18,24).
What are the key properties of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide?
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide has a molecular weight of 360.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 1455226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).