2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

C18H19N5O2S — CID 6491205

IUPAC2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCCc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H19N5O2S/c1-3-13-7-4-5-10-16(13)23-18(20-21-22-23)26-12-17(24)19-14-8-6-9-15(11-14)25-2/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKeyFBZRDDRJNTZYOB-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.96
Rot. Bonds7

About 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 6491205) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID6491205
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCCc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C18H19N5O2S/c1-3-13-7-4-5-10-16(13)23-18(20-21-22-23)26-12-17(24)19-14-8-6-9-15(11-14)25-2/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKeyFBZRDDRJNTZYOB-UHFFFAOYSA-N
XLogP2.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 16649456
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 7660799
N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 997307
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 16537053
methyl 3-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 33093690
N-(3-acetylphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1075024
N-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3671100
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 27135863
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 1075019
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
2-[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1175418

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (CID 6491205) is 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is CCc1ccccc1-n1nnnc1SCC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is FBZRDDRJNTZYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-3-13-7-4-5-10-16(13)23-18(20-21-22-23)26-12-17(24)19-14-8-6-9-15(11-14)25-2/h4-11H,3,12H2,1-2H3,(H,19,24).
What are the key properties of 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 6491205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).