2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C18H17F3N6O4S — CID 18587644

IUPAC2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(CSc2nnnn2C)cc1=O
InChIInChI=1S/C18H17F3N6O4S/c1-26-17(23-24-25-26)32-10-12-7-14(28)15(30-2)8-27(12)9-16(29)22-11-3-5-13(6-4-11)31-18(19,20)21/h3-8H,9-10H2,1-2H3,(H,22,29)
InChIKeyYGLSFDFJAYFVPG-UHFFFAOYSA-N
MW470.43 g/mol
LogP2.21
Rot. Bonds8

About 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 18587644) has the molecular formula C18H17F3N6O4S and a molecular weight of 470.43 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID18587644
Molecular FormulaC18H17F3N6O4S
Molecular Weight470.43 g/mol
Exact Mass470.10
IUPAC Name2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(CSc2nnnn2C)cc1=O
InChIInChI=1S/C18H17F3N6O4S/c1-26-17(23-24-25-26)32-10-12-7-14(28)15(30-2)8-27(12)9-16(29)22-11-3-5-13(6-4-11)31-18(19,20)21/h3-8H,9-10H2,1-2H3,(H,22,29)
InChIKeyYGLSFDFJAYFVPG-UHFFFAOYSA-N
XLogP2.21
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4-acetamidophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844664
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 27544042
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844659
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 18587666
2-[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 26844686
2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18587626
N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
CID 27652989
N-(4-ethylphenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844681
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30159406
N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27536618
2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 18587585

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 18587644) is 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is COc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(CSc2nnnn2C)cc1=O.
What is the InChIKey of 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YGLSFDFJAYFVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O4S/c1-26-17(23-24-25-26)32-10-12-7-14(28)15(30-2)8-27(12)9-16(29)22-11-3-5-13(6-4-11)31-18(19,20)21/h3-8H,9-10H2,1-2H3,(H,22,29).
What are the key properties of 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 470.43 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 18587644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).