2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C15H19N5O3S — CID 24686441

IUPAC2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)NCC1CCCO1
InChIInChI=1S/C15H19N5O3S/c1-22-13-7-3-2-6-12(13)20-15(17-18-19-20)24-10-14(21)16-9-11-5-4-8-23-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,21)
InChIKeyHQVCMDBLPDQEGM-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.06
Rot. Bonds7

About 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 24686441) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID24686441
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)NCC1CCCO1
InChIInChI=1S/C15H19N5O3S/c1-22-13-7-3-2-6-12(13)20-15(17-18-19-20)24-10-14(21)16-9-11-5-4-8-23-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,21)
InChIKeyHQVCMDBLPDQEGM-UHFFFAOYSA-N
XLogP1.06
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
2-[[4-(2-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2116064
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
1-[2-[1-(2-Methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 24818352
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 665963
N-Furan-2-ylmethyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 673910
4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetyl)morpholine
CID 859708
N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 982774

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 24686441) is 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is COc1ccccc1-n1nnnc1SCC(=O)NCC1CCCO1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HQVCMDBLPDQEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-22-13-7-3-2-6-12(13)20-15(17-18-19-20)24-10-14(21)16-9-11-5-4-8-23-11/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,16,21).
What are the key properties of 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 24686441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).