N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

C24H29N5O5S — CID 73329287

IUPACN-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSC2NC(c3ccc(OC)cc3)NC3C2C(=O)N(C)C(=O)N3C)cc1
InChIInChI=1S/C24H29N5O5S/c1-28-21-19(23(31)29(2)24(28)32)22(27-20(26-21)14-5-9-16(33-3)10-6-14)35-13-18(30)25-15-7-11-17(34-4)12-8-15/h5-12,19-22,26-27H,13H2,1-4H3,(H,25,30)
InChIKeyMYIXNORKTUCHPS-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.06
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide (PubChem CID 73329287) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
PubChem CID73329287
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSC2NC(c3ccc(OC)cc3)NC3C2C(=O)N(C)C(=O)N3C)cc1
InChIInChI=1S/C24H29N5O5S/c1-28-21-19(23(31)29(2)24(28)32)22(27-20(26-21)14-5-9-16(33-3)10-6-14)35-13-18(30)25-15-7-11-17(34-4)12-8-15/h5-12,19-22,26-27H,13H2,1-4H3,(H,25,30)
InChIKeyMYIXNORKTUCHPS-UHFFFAOYSA-N
XLogP2.06
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide (CID 73329287) is N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide is COc1ccc(NC(=O)CSC2NC(c3ccc(OC)cc3)NC3C2C(=O)N(C)C(=O)N3C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
The InChIKey is MYIXNORKTUCHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-28-21-19(23(31)29(2)24(28)32)22(27-20(26-21)14-5-9-16(33-3)10-6-14)35-13-18(30)25-15-7-11-17(34-4)12-8-15/h5-12,19-22,26-27H,13H2,1-4H3,(H,25,30).
What are the key properties of N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide has a molecular weight of 499.59 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 73329287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).