2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide

C18H19N5O2S — CID 590597

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H19N5O2S/c1-25-16-9-7-15(8-10-16)23-18(20-21-22-23)26-13-17(24)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyYJUUHBFHTWNKNG-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.12
Rot. Bonds8

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 590597) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID590597
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C18H19N5O2S/c1-25-16-9-7-15(8-10-16)23-18(20-21-22-23)26-13-17(24)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyYJUUHBFHTWNKNG-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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Related Compounds

N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
CID 1263400
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 1262825
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-{4-ethyl-5-[(4-methoxy-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-ethanone
CID 647082
N-(4-Methoxy-phenyl)-2-(4-methyl-5-o-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 650012
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1144272
Benzenamine, 4-methyl-N-[2-[1-(4-methoxyphenyl)-5-tetrazolyl]ethenyl]-
CID 5377685
(2S,3S)-N-[[2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 22880694

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide (CID 590597) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide is COc1ccc(-n2nnnc2SCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is YJUUHBFHTWNKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-16-9-7-15(8-10-16)23-18(20-21-22-23)26-13-17(24)19-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,24).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide?
2-[1-(4-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-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 590597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).