N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C19H24N6O5S — CID 1077827

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n(C)c1=O
InChIInChI=1S/C19H24N6O5S/c1-19(2,3)22-31(29,30)13-8-6-12(7-9-13)21-14(26)10-25-11-20-16-15(25)17(27)24(5)18(28)23(16)4/h6-9,11,22H,10H2,1-5H3,(H,21,26)
InChIKeyRYSMSGAHMZMOIK-UHFFFAOYSA-N
MW448.51 g/mol
LogP0.15
Rot. Bonds5

About N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 1077827) has the molecular formula C19H24N6O5S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
PubChem CID1077827
Molecular FormulaC19H24N6O5S
Molecular Weight448.51 g/mol
Exact Mass448.15
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n(C)c1=O
InChIInChI=1S/C19H24N6O5S/c1-19(2,3)22-31(29,30)13-8-6-12(7-9-13)21-14(26)10-25-11-20-16-15(25)17(27)24(5)18(28)23(16)4/h6-9,11,22H,10H2,1-5H3,(H,21,26)
InChIKeyRYSMSGAHMZMOIK-UHFFFAOYSA-N
XLogP0.15
TPSA137.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 1077827) is N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n(C)c1=O.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
The InChIKey is RYSMSGAHMZMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O5S/c1-19(2,3)22-31(29,30)13-8-6-12(7-9-13)21-14(26)10-25-11-20-16-15(25)17(27)24(5)18(28)23(16)4/h6-9,11,22H,10H2,1-5H3,(H,21,26).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?
N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 448.51 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 1077827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).