N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide

C19H20N6O2S — CID 1078044

IUPACN-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H20N6O2S/c1-3-14-4-10-17(11-5-14)25-19(22-23-24-25)28-12-18(27)21-16-8-6-15(7-9-16)20-13(2)26/h4-11H,3,12H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyUFQMMFCIGWSKDO-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.91
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1078044) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1078044
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H20N6O2S/c1-3-14-4-10-17(11-5-14)25-19(22-23-24-25)28-12-18(27)21-16-8-6-15(7-9-16)20-13(2)26/h4-11H,3,12H2,1-2H3,(H,20,26)(H,21,27)
InChIKeyUFQMMFCIGWSKDO-UHFFFAOYSA-N
XLogP2.91
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1078044) is N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide is CCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is UFQMMFCIGWSKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-3-14-4-10-17(11-5-14)25-19(22-23-24-25)28-12-18(27)21-16-8-6-15(7-9-16)20-13(2)26/h4-11H,3,12H2,1-2H3,(H,20,26)(H,21,27).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 396.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1078044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).