N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C19H20N6O4S — CID 653934

IUPACN-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C19H20N6O4S/c1-12(26)20-13-5-4-6-14(9-13)21-18(27)11-30-19-22-23-24-25(19)15-7-8-16(28-2)17(10-15)29-3/h4-10H,11H2,1-3H3,(H,20,26)(H,21,27)
InChIKeyLWGNYHJEVPSDKA-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.37
Rot. Bonds8

About N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 653934) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID653934
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC NameN-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
InChIInChI=1S/C19H20N6O4S/c1-12(26)20-13-5-4-6-14(9-13)21-18(27)11-30-19-22-23-24-25(19)15-7-8-16(28-2)17(10-15)29-3/h4-10H,11H2,1-3H3,(H,20,26)(H,21,27)
InChIKeyLWGNYHJEVPSDKA-UHFFFAOYSA-N
XLogP2.37
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 653934) is N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC.
What is the InChIKey of N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is LWGNYHJEVPSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-12(26)20-13-5-4-6-14(9-13)21-18(27)11-30-19-22-23-24-25(19)15-7-8-16(28-2)17(10-15)29-3/h4-10H,11H2,1-3H3,(H,20,26)(H,21,27).
What are the key properties of N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 428.47 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 653934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).