N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C16H15N5O3S — CID 1073203

IUPACN-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C16H15N5O3S/c1-24-14-7-5-12(6-8-14)21-16(18-19-20-21)25-10-15(23)17-11-3-2-4-13(22)9-11/h2-9,22H,10H2,1H3,(H,17,23)
InChIKeyLLINZHZSKASFCK-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.11
Rot. Bonds6

About N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1073203) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1073203
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C16H15N5O3S/c1-24-14-7-5-12(6-8-14)21-16(18-19-20-21)25-10-15(23)17-11-3-2-4-13(22)9-11/h2-9,22H,10H2,1H3,(H,17,23)
InChIKeyLLINZHZSKASFCK-UHFFFAOYSA-N
XLogP2.11
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
N-cyclopropyl-2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1249466
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
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-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 650626
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
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1073203) is N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is LLINZHZSKASFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-24-14-7-5-12(6-8-14)21-16(18-19-20-21)25-10-15(23)17-11-3-2-4-13(22)9-11/h2-9,22H,10H2,1H3,(H,17,23).
What are the key properties of N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 357.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1073203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).