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

C15H15N5O2S2 — CID 1172305

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H15N5O2S2/c1-22-12-6-4-11(5-7-12)20-15(17-18-19-20)24-10-14(21)16-9-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyXASUEXIBOPHGCL-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.14
Rot. Bonds7

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

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 1172305) has the molecular formula C15H15N5O2S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID1172305
Molecular FormulaC15H15N5O2S2
Molecular Weight361.45 g/mol
Exact Mass361.07
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H15N5O2S2/c1-22-12-6-4-11(5-7-12)20-15(17-18-19-20)24-10-14(21)16-9-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,16,21)
InChIKeyXASUEXIBOPHGCL-UHFFFAOYSA-N
XLogP2.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 1172305) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XASUEXIBOPHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S2/c1-22-12-6-4-11(5-7-12)20-15(17-18-19-20)24-10-14(21)16-9-13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,16,21).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 1172305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).