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

C18H18N6O3S — CID 1075026

IUPACN-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H18N6O3S/c1-12(25)19-13-6-8-14(9-7-13)20-17(26)11-28-18-21-22-23-24(18)15-4-3-5-16(10-15)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyYEWGLBMWVXQQSQ-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.36
Rot. Bonds7

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

N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1075026) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1075026
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1cccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C18H18N6O3S/c1-12(25)19-13-6-8-14(9-7-13)20-17(26)11-28-18-21-22-23-24(18)15-4-3-5-16(10-15)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyYEWGLBMWVXQQSQ-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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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
1-(3-methoxyphenyl)-5-(methylsulfonyl)-1H-tetrazole
CID 2221997
N-(3-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 3525947
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
1-(3-Methoxyphenyl)-5-propylsulfonyltetrazole
CID 2215161
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
CID 645218
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
2-(1-Benzo[1,3]dioxol-5-yl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 650626
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-ethanone
CID 654070
N-(3,5-Dimethoxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655782

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1075026) is N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1cccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is YEWGLBMWVXQQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-12(25)19-13-6-8-14(9-7-13)20-17(26)11-28-18-21-22-23-24(18)15-4-3-5-16(10-15)27-2/h3-10H,11H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(4-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-(4-acetamidophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1075026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).