N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide

C21H23ClN4O3S — CID 26844535

IUPACN-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide
SMILESCC(C)Cc1cnc2c(c1SCC(=O)Nc1cccc(Cl)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H23ClN4O3S/c1-12(2)8-13-10-23-19-17(20(28)26(4)21(29)25(19)3)18(13)30-11-16(27)24-15-7-5-6-14(22)9-15/h5-7,9-10,12H,8,11H2,1-4H3,(H,24,27)
InChIKeyCIQHJHJMHDSQPU-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.21
Rot. Bonds6

About N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide

N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide (PubChem CID 26844535) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide
PubChem CID26844535
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC NameN-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide
SMILESCC(C)Cc1cnc2c(c1SCC(=O)Nc1cccc(Cl)c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H23ClN4O3S/c1-12(2)8-13-10-23-19-17(20(28)26(4)21(29)25(19)3)18(13)30-11-16(27)24-15-7-5-6-14(22)9-15/h5-7,9-10,12H,8,11H2,1-4H3,(H,24,27)
InChIKeyCIQHJHJMHDSQPU-UHFFFAOYSA-N
XLogP3.21
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 26844352
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 26844466
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 26844478
N-(3,4-dichlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 41085062
N-(4-chlorophenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 26844286
2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 44827607
2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 26844494
N-(1,3-benzodioxol-5-yl)-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 44827571
5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-dimethyl-6-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 26844509
N-(3-chlorophenyl)-2-(7-cyclohexyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanylacetamide
CID 40860070
N-(4-acetylphenyl)-2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585373
2-(6-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 26844380

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide (CID 26844535) is N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide is CC(C)Cc1cnc2c(c1SCC(=O)Nc1cccc(Cl)c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide?
The InChIKey is CIQHJHJMHDSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-12(2)8-13-10-23-19-17(20(28)26(4)21(29)25(19)3)18(13)30-11-16(27)24-15-7-5-6-14(22)9-15/h5-7,9-10,12H,8,11H2,1-4H3,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide?
N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide has a molecular weight of 446.96 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1,3-dimethyl-6-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]sulfanylacetamide is sourced from PubChem (CID 26844535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).