N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C18H18N6O3S — CID 649509

IUPACN-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H18N6O3S/c1-12(25)19-13-5-3-6-14(9-13)20-17(26)11-28-18-21-22-23-24(18)15-7-4-8-16(10-15)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyZEFDRVDMSPHPTO-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.36
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 649509) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID649509
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C18H18N6O3S/c1-12(25)19-13-5-3-6-14(9-13)20-17(26)11-28-18-21-22-23-24(18)15-7-4-8-16(10-15)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyZEFDRVDMSPHPTO-UHFFFAOYSA-N
XLogP2.36
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 649509) is N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ZEFDRVDMSPHPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-12(25)19-13-5-3-6-14(9-13)20-17(26)11-28-18-21-22-23-24(18)15-7-4-8-16(10-15)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 398.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 649509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).