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

C18H19N5O2S — CID 651644

IUPAC2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H19N5O2S/c1-25-16-9-5-8-15(12-16)23-18(20-21-22-23)26-13-17(24)19-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,19,24)
InChIKeyKYXIZYGHAYDNQQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.12
Rot. Bonds8

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

2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 651644) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID651644
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C18H19N5O2S/c1-25-16-9-5-8-15(12-16)23-18(20-21-22-23)26-13-17(24)19-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,19,24)
InChIKeyKYXIZYGHAYDNQQ-UHFFFAOYSA-N
XLogP2.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 651644) is 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide is COc1cccc(-n2nnnc2SCC(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is KYXIZYGHAYDNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-16-9-5-8-15(12-16)23-18(20-21-22-23)26-13-17(24)19-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,19,24).
What are the key properties of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 651644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).