2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

C12H15N5O2S — CID 864272

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccccc1OC
InChIInChI=1S/C12H15N5O2S/c1-3-17-12(14-15-16-17)20-8-11(18)13-9-6-4-5-7-10(9)19-2/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKeyYZOMMVVGPDAMNK-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.43
Rot. Bonds6

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 864272) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID864272
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccccc1OC
InChIInChI=1S/C12H15N5O2S/c1-3-17-12(14-15-16-17)20-8-11(18)13-9-6-4-5-7-10(9)19-2/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKeyYZOMMVVGPDAMNK-UHFFFAOYSA-N
XLogP1.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 1452360
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1455235
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7673580
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418
2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 19716846
N-(2-methoxy-5-methylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36794853
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2937227
N-(2,5-dimethoxyphenyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 35141887
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
N-[3-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 3169643
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2661368
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 864272) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is CCn1nnnc1SCC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is YZOMMVVGPDAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-17-12(14-15-16-17)20-8-11(18)13-9-6-4-5-7-10(9)19-2/h4-7H,3,8H2,1-2H3,(H,13,18).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 864272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).