N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C16H15N5O2S — CID 555657

IUPACN-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C16H15N5O2S/c1-23-14-9-5-6-12(10-14)17-15(22)11-24-16-18-19-20-21(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeyXUMHUOBPQODUPF-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.40
Rot. Bonds6

About N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 555657) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID555657
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C16H15N5O2S/c1-23-14-9-5-6-12(10-14)17-15(22)11-24-16-18-19-20-21(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeyXUMHUOBPQODUPF-UHFFFAOYSA-N
XLogP2.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.40
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
N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazole
CID 2221997
N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 3525947
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
2-{[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 2024579
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
1-(3-Methoxyphenyl)-5-propylsulfonyltetrazole
CID 2215161
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 555657) is N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is COc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XUMHUOBPQODUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-23-14-9-5-6-12(10-14)17-15(22)11-24-16-18-19-20-21(16)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 341.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).