N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide

C23H26N4O8S — CID 20862124

IUPACN-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C23H26N4O8S/c1-5-35-16-8-6-15(7-9-16)27(36(31,32)21-14(2)24-23(30)26-22(21)29)13-20(28)25-18-11-10-17(33-3)12-19(18)34-4/h6-12H,5,13H2,1-4H3,(H,25,28)(H2,24,26,29,30)
InChIKeyLYAVOXUZZATDQV-UHFFFAOYSA-N
MW518.55 g/mol
LogP1.62
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide

N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide (PubChem CID 20862124) has the molecular formula C23H26N4O8S and a molecular weight of 518.55 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide
PubChem CID20862124
Molecular FormulaC23H26N4O8S
Molecular Weight518.55 g/mol
Exact Mass518.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C23H26N4O8S/c1-5-35-16-8-6-15(7-9-16)27(36(31,32)21-14(2)24-23(30)26-22(21)29)13-20(28)25-18-11-10-17(33-3)12-19(18)34-4/h6-12H,5,13H2,1-4H3,(H,25,28)(H2,24,26,29,30)
InChIKeyLYAVOXUZZATDQV-UHFFFAOYSA-N
XLogP1.62
TPSA159.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.55
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide (CID 20862124) is N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide?
The InChIKey is LYAVOXUZZATDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O8S/c1-5-35-16-8-6-15(7-9-16)27(36(31,32)21-14(2)24-23(30)26-22(21)29)13-20(28)25-18-11-10-17(33-3)12-19(18)34-4/h6-12H,5,13H2,1-4H3,(H,25,28)(H2,24,26,29,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide has a molecular weight of 518.55 g/mol, XLogP of 1.62, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-ethoxy-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]anilino]acetamide is sourced from PubChem (CID 20862124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).