2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

C12H15N5O2S — CID 864256

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C12H15N5O2S/c1-3-17-12(14-15-16-17)20-8-11(18)13-9-4-6-10(19-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKeyYHIUSUXWMIGYNW-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.43
Rot. Bonds6

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 864256) 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-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID864256
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C12H15N5O2S/c1-3-17-12(14-15-16-17)20-8-11(18)13-9-4-6-10(19-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,18)
InChIKeyYHIUSUXWMIGYNW-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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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 864256) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is CCn1nnnc1SCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is YHIUSUXWMIGYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-17-12(14-15-16-17)20-8-11(18)13-9-4-6-10(19-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,13,18).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 864256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).