2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide

C24H23N5O4S — CID 18561739

IUPAC2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide
SMILESCOc1cccc(-c2nc(SCC(=O)N(C)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)c1
InChIInChI=1S/C24H23N5O4S/c1-27(16-10-6-5-7-11-16)18(30)14-34-22-19-21(28(2)24(32)29(3)23(19)31)25-20(26-22)15-9-8-12-17(13-15)33-4/h5-13H,14H2,1-4H3
InChIKeyPLAQXZCPCNTTHV-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.46
Rot. Bonds6

About 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide

2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide (PubChem CID 18561739) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide
PubChem CID18561739
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide
SMILESCOc1cccc(-c2nc(SCC(=O)N(C)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)c1
InChIInChI=1S/C24H23N5O4S/c1-27(16-10-6-5-7-11-16)18(30)14-34-22-19-21(28(2)24(32)29(3)23(19)31)25-20(26-22)15-9-8-12-17(13-15)33-4/h5-13H,14H2,1-4H3
InChIKeyPLAQXZCPCNTTHV-UHFFFAOYSA-N
XLogP2.46
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide (CID 18561739) is 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide is COc1cccc(-c2nc(SCC(=O)N(C)c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n2)c1.
What is the InChIKey of 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide?
The InChIKey is PLAQXZCPCNTTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-27(16-10-6-5-7-11-16)18(30)14-34-22-19-21(28(2)24(32)29(3)23(19)31)25-20(26-22)15-9-8-12-17(13-15)33-4/h5-13H,14H2,1-4H3.
What are the key properties of 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide?
2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide has a molecular weight of 477.55 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-methyl-N-phenylacetamide is sourced from PubChem (CID 18561739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).