N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C23H19ClN4O4S — CID 20879291

IUPACN-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3OC)nc3ncccc3c2=O)c1
InChIInChI=1S/C23H19ClN4O4S/c1-31-16-6-3-5-15(12-16)28-22(30)17-7-4-10-25-21(17)27-23(28)33-13-20(29)26-18-11-14(24)8-9-19(18)32-2/h3-12H,13H2,1-2H3,(H,26,29)
InChIKeyGBGDRBBPLQGYKX-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.18
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 20879291) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID20879291
Molecular FormulaC23H19ClN4O4S
Molecular Weight482.95 g/mol
Exact Mass482.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3OC)nc3ncccc3c2=O)c1
InChIInChI=1S/C23H19ClN4O4S/c1-31-16-6-3-5-15(12-16)28-22(30)17-7-4-10-25-21(17)27-23(28)33-13-20(29)26-18-11-14(24)8-9-19(18)32-2/h3-12H,13H2,1-2H3,(H,26,29)
InChIKeyGBGDRBBPLQGYKX-UHFFFAOYSA-N
XLogP4.18
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyphenyl)-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 20879263
2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20879279
N-(2,5-dimethoxyphenyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 33111857
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CID 2156311
N-(3,5-dichloro-2-pyridinyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2417361
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4115991
N-(5-chloro-2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 43816419
N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide
CID 22518479
N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-9-phenyl-1H-purin-8-yl)sulfanyl]acetamide
CID 135645471
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2478471
N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide
CID 22518605
N-(2-chloro-5-nitrophenyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23879602

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 20879291) is N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is COc1cccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3OC)nc3ncccc3c2=O)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is GBGDRBBPLQGYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c1-31-16-6-3-5-15(12-16)28-22(30)17-7-4-10-25-21(17)27-23(28)33-13-20(29)26-18-11-14(24)8-9-19(18)32-2/h3-12H,13H2,1-2H3,(H,26,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 482.95 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 20879291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).