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

C12H13N9O2S — CID 2024579

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C12H13N9O2S/c1-20-16-11(14-18-20)13-10(22)7-24-12-15-17-19-21(12)8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,16,22)
InChIKeyFQGWZWCIVFUUNY-UHFFFAOYSA-N
MW347.36 g/mol
LogP-0.07
Rot. Bonds6

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

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 2024579) has the molecular formula C12H13N9O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID2024579
Molecular FormulaC12H13N9O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C12H13N9O2S/c1-20-16-11(14-18-20)13-10(22)7-24-12-15-17-19-21(12)8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,16,22)
InChIKeyFQGWZWCIVFUUNY-UHFFFAOYSA-N
XLogP-0.07
TPSA125.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
3-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2945197
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705
2-[1-(3,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 646327
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610
2-({1-[4-(trifluoromethoxy)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 1262812
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(4-ethoxy-phenyl)-acetamide
CID 3228980
2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1078049
2-[1-(2-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenyl-acetamide
CID 865913

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide (CID 2024579) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2nnn(C)n2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is FQGWZWCIVFUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N9O2S/c1-20-16-11(14-18-20)13-10(22)7-24-12-15-17-19-21(12)8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,16,22).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 347.36 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 2024579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).