N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide

C28H25N3O4S — CID 2150435

IUPACN-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4OC)n2)Cc2cccc(C)c2O3)cc1
InChIInChI=1S/C28H25N3O4S/c1-17-7-6-8-19-15-21-27(35-25(17)19)30-26(18-11-13-20(33-2)14-12-18)31-28(21)36-16-24(32)29-22-9-4-5-10-23(22)34-3/h4-14H,15-16H2,1-3H3,(H,29,32)
InChIKeyFKMXZDLJFHGZAH-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.90
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide

N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 2150435) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID2150435
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC NameN-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4OC)n2)Cc2cccc(C)c2O3)cc1
InChIInChI=1S/C28H25N3O4S/c1-17-7-6-8-19-15-21-27(35-25(17)19)30-26(18-11-13-20(33-2)14-12-18)31-28(21)36-16-24(32)29-22-9-4-5-10-23(22)34-3/h4-14H,15-16H2,1-3H3,(H,29,32)
InChIKeyFKMXZDLJFHGZAH-UHFFFAOYSA-N
XLogP5.90
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide 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 N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide (CID 2150435) is N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide is COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4OC)n2)Cc2cccc(C)c2O3)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is FKMXZDLJFHGZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-17-7-6-8-19-15-21-27(35-25(17)19)30-26(18-11-13-20(33-2)14-12-18)31-28(21)36-16-24(32)29-22-9-4-5-10-23(22)34-3/h4-14H,15-16H2,1-3H3,(H,29,32).
What are the key properties of N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 499.59 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 2150435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).