N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide

C23H23ClN2O4S — CID 22585256

IUPACN-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1ccc(C)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-15-4-7-18(8-5-15)31-14-17-11-20(27)22(30-3)12-26(17)13-23(28)25-19-10-16(24)6-9-21(19)29-2/h4-12H,13-14H2,1-3H3,(H,25,28)
InChIKeyYYFWUQMRGYONIZ-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.76
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 22585256) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID22585256
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1ccc(C)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-15-4-7-18(8-5-15)31-14-17-11-20(27)22(30-3)12-26(17)13-23(28)25-19-10-16(24)6-9-21(19)29-2/h4-12H,13-14H2,1-3H3,(H,25,28)
InChIKeyYYFWUQMRGYONIZ-UHFFFAOYSA-N
XLogP4.76
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 22585241
N-(5-chloro-2-methoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853159
2-[2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 26844686
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844680
2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 22585214
N-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853166
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(3-chloro-4-methylphenyl)-2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27536618
N-(3-chlorophenyl)-2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
CID 27544042
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354922

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (CID 22585256) is N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is COc1ccc(Cl)cc1NC(=O)Cn1cc(OC)c(=O)cc1CSc1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is YYFWUQMRGYONIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-15-4-7-18(8-5-15)31-14-17-11-20(27)22(30-3)12-26(17)13-23(28)25-19-10-16(24)6-9-21(19)29-2/h4-12H,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 22585256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).