2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide

C17H18N6O3S — CID 653701

IUPAC2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)cc1OC
InChIInChI=1S/C17H18N6O3S/c1-11-5-4-6-15(18-11)19-16(24)10-27-17-20-21-22-23(17)12-7-8-13(25-2)14(9-12)26-3/h4-9H,10H2,1-3H3,(H,18,19,24)
InChIKeyYCBCHXUNKPHZPU-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.11
Rot. Bonds7

About 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide

2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 653701) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID653701
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)cc1OC
InChIInChI=1S/C17H18N6O3S/c1-11-5-4-6-15(18-11)19-16(24)10-27-17-20-21-22-23(17)12-7-8-13(25-2)14(9-12)26-3/h4-9H,10H2,1-3H3,(H,18,19,24)
InChIKeyYCBCHXUNKPHZPU-UHFFFAOYSA-N
XLogP2.11
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 10125949
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-2-((4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
CID 663336
N-Benzo[1,3]dioxol-5-yl-2-(4,6-diamino-pyrimidin-2-ylsulfanyl)-acetamide
CID 2627302
N-(3,4-dimethoxyphenyl)-2-({5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)acetamide
CID 101891745
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 662614
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide
CID 1175667
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(3-methoxyphenyl)acetamide
CID 1434102
N-(3,4-Dimethoxy-phenyl)-2-(4-phenyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1959713
2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 4609317
2-({5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 2146828
N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 2238231
C16H19N7O3S
CID 4904405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide (CID 653701) is 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is YCBCHXUNKPHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-11-5-4-6-15(18-11)19-16(24)10-27-17-20-21-22-23(17)12-7-8-13(25-2)14(9-12)26-3/h4-9H,10H2,1-3H3,(H,18,19,24).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide?
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 386.44 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 653701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).