N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide

C17H17ClN6O3S — CID 27544042

IUPACN-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nnnn2C)cc1=O
InChIInChI=1S/C17H17ClN6O3S/c1-23-17(20-21-22-23)28-10-13-7-14(25)15(27-2)8-24(13)9-16(26)19-12-5-3-4-11(18)6-12/h3-8H,9-10H2,1-2H3,(H,19,26)
InChIKeyOFAJRTNLIQJJGN-UHFFFAOYSA-N
MW420.88 g/mol
LogP1.96
Rot. Bonds7

About N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide

N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 27544042) has the molecular formula C17H17ClN6O3S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID27544042
Molecular FormulaC17H17ClN6O3S
Molecular Weight420.88 g/mol
Exact Mass420.08
IUPAC NameN-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nnnn2C)cc1=O
InChIInChI=1S/C17H17ClN6O3S/c1-23-17(20-21-22-23)28-10-13-7-14(25)15(27-2)8-24(13)9-16(26)19-12-5-3-4-11(18)6-12/h3-8H,9-10H2,1-2H3,(H,19,26)
InChIKeyOFAJRTNLIQJJGN-UHFFFAOYSA-N
XLogP1.96
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide with MolForge

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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-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 26844659
N-(3-chlorophenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585241
2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18587644
2-[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 26844686
2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 22585214
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 18587666
N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585256
2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 18587585
N-(4-ethylphenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844681
N-(4-ethoxyphenyl)-2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]acetamide
CID 27652989

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (CID 27544042) is N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)Nc2cccc(Cl)c2)c(CSc2nnnn2C)cc1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is OFAJRTNLIQJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O3S/c1-23-17(20-21-22-23)28-10-13-7-14(25)15(27-2)8-24(13)9-16(26)19-12-5-3-4-11(18)6-12/h3-8H,9-10H2,1-2H3,(H,19,26).
What are the key properties of N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 420.88 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 27544042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).