N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide

C15H14F3N5O6S — CID 3641925

IUPACN-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)n1
InChIInChI=1S/C15H14F3N5O6S/c1-28-10-7-11(29-2)21-13(20-10)22-14(25)23-30(26,27)9-6-4-3-5-8(9)19-12(24)15(16,17)18/h3-7H,1-2H3,(H,19,24)(H2,20,21,22,23,25)
InChIKeyYSRLZBUZVWXEEY-UHFFFAOYSA-N
MW449.37 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide

N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 3641925) has the molecular formula C15H14F3N5O6S and a molecular weight of 449.37 g/mol. Its IUPAC name is N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID3641925
Molecular FormulaC15H14F3N5O6S
Molecular Weight449.37 g/mol
Exact Mass449.06
IUPAC NameN-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)n1
InChIInChI=1S/C15H14F3N5O6S/c1-28-10-7-11(29-2)21-13(20-10)22-14(25)23-30(26,27)9-6-4-3-5-8(9)19-12(24)15(16,17)18/h3-7H,1-2H3,(H,19,24)(H2,20,21,22,23,25)
InChIKeyYSRLZBUZVWXEEY-UHFFFAOYSA-N
XLogP1.50
TPSA148.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

1-[2-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 18934189
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-[(1S,2R)-2-fluoro-1-hydroxypropyl]phenyl]sulfonylurea
CID 101077371
1-[4-methoxy-6-(trifluoromethoxy)pyrimidin-2-yl]-3-(2-methylsulfinylphenyl)sulfonylurea
CID 23178446
2-[[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
CID 23177681
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(methylsulfanylmethyl)phenyl]sulfonylurea
CID 13057427
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-thiophen-2-ylphenyl)sulfonylurea
CID 13366185
1-[2-(dichloromethyl)phenyl]sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 13364616
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 19418320
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]indole-1-carboxylic acid
CID 70416029

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide (CID 3641925) is N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)n1.
What is the InChIKey of N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is YSRLZBUZVWXEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O6S/c1-28-10-7-11(29-2)21-13(20-10)22-14(25)23-30(26,27)9-6-4-3-5-8(9)19-12(24)15(16,17)18/h3-7H,1-2H3,(H,19,24)(H2,20,21,22,23,25).
What are the key properties of N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 449.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3641925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).