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

C15H19N5O2S — CID 714083

IUPACN-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C15H19N5O2S/c1-22-13-9-5-4-8-12(13)20-15(17-18-19-20)23-10-14(21)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,21)
InChIKeyYLXOPANRFJQCMT-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.82
Rot. Bonds6

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

N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 714083) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID714083
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C15H19N5O2S/c1-22-13-9-5-4-8-12(13)20-15(17-18-19-20)23-10-14(21)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,21)
InChIKeyYLXOPANRFJQCMT-UHFFFAOYSA-N
XLogP1.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.82
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-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 714083) is N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccccc1-n1nnnc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is YLXOPANRFJQCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-22-13-9-5-4-8-12(13)20-15(17-18-19-20)23-10-14(21)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,21).
What are the key properties of N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 333.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 714083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).