N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide

C23H26N6O5S — CID 2901352

IUPACN-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(N(C(N)=Nc2nc(C)cc(C)n2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H26N6O5S/c1-14-12-15(2)26-23(25-14)28-22(24)29(20-13-18(33-4)8-11-21(20)34-5)35(31,32)19-9-6-17(7-10-19)27-16(3)30/h6-13H,1-5H3,(H,27,30)(H2,24,25,26,28)
InChIKeyFQBZQMOUXSZPIY-UHFFFAOYSA-N
MW498.57 g/mol
LogP2.91
Rot. Bonds7

About N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide

N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide (PubChem CID 2901352) has the molecular formula C23H26N6O5S and a molecular weight of 498.57 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide
PubChem CID2901352
Molecular FormulaC23H26N6O5S
Molecular Weight498.57 g/mol
Exact Mass498.17
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(OC)c(N(C(N)=Nc2nc(C)cc(C)n2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C23H26N6O5S/c1-14-12-15(2)26-23(25-14)28-22(24)29(20-13-18(33-4)8-11-21(20)34-5)35(31,32)19-9-6-17(7-10-19)27-16(3)30/h6-13H,1-5H3,(H,27,30)(H2,24,25,26,28)
InChIKeyFQBZQMOUXSZPIY-UHFFFAOYSA-N
XLogP2.91
TPSA149.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylguanidine
CID 16682399
2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
CID 90051595
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;2-(4,6-dimethylpyrimidin-2-yl)-1-(4-propan-2-ylphenyl)guanidine;N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide;methane;1-phenylethanone
CID 159991699
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1204001
N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889666
2-(N-(4-bromophenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 50895197
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881724
N-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]sulfamoyl]phenyl]acetamide
CID 2205372

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide (CID 2901352) is N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide is COc1ccc(OC)c(N(C(N)=Nc2nc(C)cc(C)n2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide?
The InChIKey is FQBZQMOUXSZPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5S/c1-14-12-15(2)26-23(25-14)28-22(24)29(20-13-18(33-4)8-11-21(20)34-5)35(31,32)19-9-6-17(7-10-19)27-16(3)30/h6-13H,1-5H3,(H,27,30)(H2,24,25,26,28).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide?
N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide has a molecular weight of 498.57 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2901352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).