N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide

C23H24N6O5S — CID 142577864

IUPACN-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide
SMILESCCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccc(CNS(=O)(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C23H24N6O5S/c1-3-28-14-24-21-20(28)22(31)27-23(32)29(21)13-17-9-7-16(8-10-17)12-25-35(33,34)19-6-4-5-18(11-19)26-15(2)30/h4-11,14,25H,3,12-13H2,1-2H3,(H,26,30)(H,27,31,32)
InChIKeyLUKUOCNEOZUKTC-UHFFFAOYSA-N
MW496.55 g/mol
LogP1.39
Rot. Bonds8

About N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide

N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide (PubChem CID 142577864) has the molecular formula C23H24N6O5S and a molecular weight of 496.55 g/mol. Its IUPAC name is N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide
PubChem CID142577864
Molecular FormulaC23H24N6O5S
Molecular Weight496.55 g/mol
Exact Mass496.15
IUPAC NameN-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide
SMILESCCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccc(CNS(=O)(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C23H24N6O5S/c1-3-28-14-24-21-20(28)22(31)27-23(32)29(21)13-17-9-7-16(8-10-17)12-25-35(33,34)19-6-4-5-18(11-19)26-15(2)30/h4-11,14,25H,3,12-13H2,1-2H3,(H,26,30)(H,27,31,32)
InChIKeyLUKUOCNEOZUKTC-UHFFFAOYSA-N
XLogP1.39
TPSA147.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

N-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methyl]-4-phenylbenzenesulfonamide
CID 142577823
N-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methyl]-1,3-benzothiazole-5-sulfonamide
CID 142577822
2-ethyl-N-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 155356344
N-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methyl]-1-propylpyrazole-4-carboxamide
CID 142577814
N-[4-(3-benzyl-7-ethyl-2,6-dioxopurin-8-yl)phenyl]acetamide
CID 39904062
3-[[4-[[(4-cyclohexyloxyphenyl)sulfanylamino]methyl]phenyl]methyl]-7-ethylpurine-2,6-dione
CID 155356459
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
1-[3-(benzylsulfamoyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231284
2-(3-methyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 7304333
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide
CID 131945022

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide (CID 142577864) is N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide is CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccc(CNS(=O)(=O)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is LUKUOCNEOZUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5S/c1-3-28-14-24-21-20(28)22(31)27-23(32)29(21)13-17-9-7-16(8-10-17)12-25-35(33,34)19-6-4-5-18(11-19)26-15(2)30/h4-11,14,25H,3,12-13H2,1-2H3,(H,26,30)(H,27,31,32).
What are the key properties of N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide?
N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 496.55 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 142577864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).