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

C16H16N6O2S2 — CID 3195205

IUPAC2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H16N6O2S2/c1-11(23)18-12-4-6-13(7-5-12)22-16(19-20-21-22)26-10-15(24)17-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,17,24)(H,18,23)
InChIKeyYHKQWCQVGKZEGP-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.09
Rot. Bonds7

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

2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3195205) has the molecular formula C16H16N6O2S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3195205
Molecular FormulaC16H16N6O2S2
Molecular Weight388.48 g/mol
Exact Mass388.08
IUPAC Name2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C16H16N6O2S2/c1-11(23)18-12-4-6-13(7-5-12)22-16(19-20-21-22)26-10-15(24)17-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,17,24)(H,18,23)
InChIKeyYHKQWCQVGKZEGP-UHFFFAOYSA-N
XLogP2.09
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 3195205) is 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CC(=O)Nc1ccc(-n2nnnc2SCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YHKQWCQVGKZEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S2/c1-11(23)18-12-4-6-13(7-5-12)22-16(19-20-21-22)26-10-15(24)17-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,17,24)(H,18,23).
What are the key properties of 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 388.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3195205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).