2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide

C16H15N5O2S — CID 853705

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15N5O2S/c1-21-16(18-19-20-21)24-11-15(22)17-12-7-9-14(10-8-12)23-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeySXQBZCPLDIXPDK-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.73
Rot. Bonds6

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide (PubChem CID 853705) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
PubChem CID853705
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15N5O2S/c1-21-16(18-19-20-21)24-11-15(22)17-12-7-9-14(10-8-12)23-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeySXQBZCPLDIXPDK-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861219
Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 847552
N-(4-butoxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 2164243
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
N-(4-ethoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 677402
2-(1H-1,2,4-triazol-3-ylthio)-N-(4-ethoxyphenyl)acetamide
CID 707638
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(4-phenylmethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2352685
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-((1-(4-methoxyphenyl)-1H-tetrazol-5-yl)thio)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 2024579
N-(4-Benzyloxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649645

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide (CID 853705) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The InChIKey is SXQBZCPLDIXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-21-16(18-19-20-21)24-11-15(22)17-12-7-9-14(10-8-12)23-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide has a molecular weight of 341.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 853705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).