N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C20H26N6O6S — CID 2916260

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C20H26N6O6S/c1-6-26(7-2)33(30,31)13-8-9-15(32-5)14(10-13)22-16(27)11-25-12-21-18-17(25)19(28)24(4)20(29)23(18)3/h8-10,12H,6-7,11H2,1-5H3,(H,22,27)
InChIKeyYMAGYUDYVGAVCN-UHFFFAOYSA-N
MW478.53 g/mol
LogP0.11
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 2916260) has the molecular formula C20H26N6O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID2916260
Molecular FormulaC20H26N6O6S
Molecular Weight478.53 g/mol
Exact Mass478.16
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C20H26N6O6S/c1-6-26(7-2)33(30,31)13-8-9-15(32-5)14(10-13)22-16(27)11-25-12-21-18-17(25)19(28)24(4)20(29)23(18)3/h8-10,12H,6-7,11H2,1-5H3,(H,22,27)
InChIKeyYMAGYUDYVGAVCN-UHFFFAOYSA-N
XLogP0.11
TPSA137.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 2916260) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is YMAGYUDYVGAVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O6S/c1-6-26(7-2)33(30,31)13-8-9-15(32-5)14(10-13)22-16(27)11-25-12-21-18-17(25)19(28)24(4)20(29)23(18)3/h8-10,12H,6-7,11H2,1-5H3,(H,22,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 478.53 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 2916260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).