N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C17H16Cl2N6O2S — CID 2613850

IUPACN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)Nc1ncc(Cl)c(C)c1Cl
InChIInChI=1S/C17H16Cl2N6O2S/c1-3-27-13-7-5-4-6-12(13)25-17(22-23-24-25)28-9-14(26)21-16-15(19)10(2)11(18)8-20-16/h4-8H,3,9H2,1-2H3,(H,20,21,26)
InChIKeySGWBWPGTIMTAEP-UHFFFAOYSA-N
MW439.33 g/mol
LogP3.80
Rot. Bonds7

About N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2613850) has the molecular formula C17H16Cl2N6O2S and a molecular weight of 439.33 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2613850
Molecular FormulaC17H16Cl2N6O2S
Molecular Weight439.33 g/mol
Exact Mass438.04
IUPAC NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCOc1ccccc1-n1nnnc1SCC(=O)Nc1ncc(Cl)c(C)c1Cl
InChIInChI=1S/C17H16Cl2N6O2S/c1-3-27-13-7-5-4-6-12(13)25-17(22-23-24-25)28-9-14(26)21-16-15(19)10(2)11(18)8-20-16/h4-8H,3,9H2,1-2H3,(H,20,21,26)
InChIKeySGWBWPGTIMTAEP-UHFFFAOYSA-N
XLogP3.80
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2608713
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 36534099
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750
ethyl 2-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2613871
N-(4-bromo-3-methylphenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614116
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide
CID 26575544
N-[2-(cyanomethylsulfanyl)phenyl]-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27160013
2-[[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 5036823
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 16537053
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 2613999

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2613850) is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ncc(Cl)c(C)c1Cl.
What is the InChIKey of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is SGWBWPGTIMTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O2S/c1-3-27-13-7-5-4-6-12(13)25-17(22-23-24-25)28-9-14(26)21-16-15(19)10(2)11(18)8-20-16/h4-8H,3,9H2,1-2H3,(H,20,21,26).
What are the key properties of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 439.33 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2613850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).