N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H21N5O2S — CID 859695

IUPACN-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H21N5O2S/c1-2-23-14-9-7-13(8-10-14)21-16(18-19-20-21)24-11-15(22)17-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,22)
InChIKeyZZMYMQSVJNJZLU-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.21
Rot. Bonds7

About N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 859695) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID859695
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H21N5O2S/c1-2-23-14-9-7-13(8-10-14)21-16(18-19-20-21)24-11-15(22)17-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,22)
InChIKeyZZMYMQSVJNJZLU-UHFFFAOYSA-N
XLogP2.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 859695) is N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is CCOc1ccc(-n2nnnc2SCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ZZMYMQSVJNJZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-2-23-14-9-7-13(8-10-14)21-16(18-19-20-21)24-11-15(22)17-12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,22).
What are the key properties of N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 347.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 859695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).