2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide

C17H17N5O3S — CID 1172285

IUPAC2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide
SMILESCCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H17N5O3S/c1-2-25-15-8-6-13(7-9-15)22-17(19-20-21-22)26-11-16(24)18-12-4-3-5-14(23)10-12/h3-10,23H,2,11H2,1H3,(H,18,24)
InChIKeyFJHOZNRBOHUGDD-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.50
Rot. Bonds7

About 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide

2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide (PubChem CID 1172285) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide
PubChem CID1172285
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide
SMILESCCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H17N5O3S/c1-2-25-15-8-6-13(7-9-15)22-17(19-20-21-22)26-11-16(24)18-12-4-3-5-14(23)10-12/h3-10,23H,2,11H2,1H3,(H,18,24)
InChIKeyFJHOZNRBOHUGDD-UHFFFAOYSA-N
XLogP2.50
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1265630
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-(4-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1140123
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
CID 645218
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[1-(2,5-dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 647087
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
N-(2-ethoxyphenyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 982774
N-(2-methoxyphenyl)-2-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1075013
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075028

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide (CID 1172285) is 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide is CCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide?
The InChIKey is FJHOZNRBOHUGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-2-25-15-8-6-13(7-9-15)22-17(19-20-21-22)26-11-16(24)18-12-4-3-5-14(23)10-12/h3-10,23H,2,11H2,1H3,(H,18,24).
What are the key properties of 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide?
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 1172285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).