N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

C21H23N5O7S2 — CID 25044682

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)nc(OC)n1
InChIInChI=1S/C21H23N5O7S2/c1-14-4-8-16(9-5-14)34(28,29)22-13-19(27)23-15-6-10-17(11-7-15)35(30,31)26-18-12-20(32-2)25-21(24-18)33-3/h4-12,22H,13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyCPSVBTHMAPPQDH-UHFFFAOYSA-N
MW521.58 g/mol
LogP1.52
Rot. Bonds10

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 25044682) has the molecular formula C21H23N5O7S2 and a molecular weight of 521.58 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID25044682
Molecular FormulaC21H23N5O7S2
Molecular Weight521.58 g/mol
Exact Mass521.10
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)nc(OC)n1
InChIInChI=1S/C21H23N5O7S2/c1-14-4-8-16(9-5-14)34(28,29)22-13-19(27)23-15-6-10-17(11-7-15)35(30,31)26-18-12-20(32-2)25-21(24-18)33-3/h4-12,22H,13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyCPSVBTHMAPPQDH-UHFFFAOYSA-N
XLogP1.52
TPSA165.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.58
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526453
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 4630807
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
2-(4-chloro-2-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5218053
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4026517
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519117
methyl 4-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 4660134
1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 2206595
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280722
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 4513589
N-(2,6-dimethoxypyrimidin-4-yl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22203987

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 25044682) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C)cc3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is CPSVBTHMAPPQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O7S2/c1-14-4-8-16(9-5-14)34(28,29)22-13-19(27)23-15-6-10-17(11-7-15)35(30,31)26-18-12-20(32-2)25-21(24-18)33-3/h4-12,22H,13H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 521.58 g/mol, XLogP of 1.52, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 25044682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).