2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide

C16H19FN6O6S — CID 70195005

IUPAC2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide
SMILESCOc1cc(OC)nc(N(c2cccc(F)c2C(=O)N(C)C)S(=O)(=O)NC(N)=O)n1
InChIInChI=1S/C16H19FN6O6S/c1-22(2)14(24)13-9(17)6-5-7-10(13)23(30(26,27)21-15(18)25)16-19-11(28-3)8-12(20-16)29-4/h5-8H,1-4H3,(H3,18,21,25)
InChIKeyPTRYOLPKJCIBOG-UHFFFAOYSA-N
MW442.43 g/mol
LogP0.39
Rot. Bonds7

About 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide

2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide (PubChem CID 70195005) has the molecular formula C16H19FN6O6S and a molecular weight of 442.43 g/mol. Its IUPAC name is 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide
PubChem CID70195005
Molecular FormulaC16H19FN6O6S
Molecular Weight442.43 g/mol
Exact Mass442.11
IUPAC Name2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide
SMILESCOc1cc(OC)nc(N(c2cccc(F)c2C(=O)N(C)C)S(=O)(=O)NC(N)=O)n1
InChIInChI=1S/C16H19FN6O6S/c1-22(2)14(24)13-9(17)6-5-7-10(13)23(30(26,27)21-15(18)25)16-19-11(28-3)8-12(20-16)29-4/h5-8H,1-4H3,(H3,18,21,25)
InChIKeyPTRYOLPKJCIBOG-UHFFFAOYSA-N
XLogP0.39
TPSA157.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide with MolForge

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Related Compounds

methyl 2-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzoate
CID 67854225
1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea
CID 141017189
1-(4,6-dimethoxypyrimidin-2-yl)-1-methyl-3-(2-methylsulfonylphenyl)sulfonylurea
CID 13093971
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
1-(4,6-dimethoxypyrimidin-2-yl)-1-[[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]sulfamoyl]urea
CID 67618462
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67617129
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 141254822
methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate
CID 151729187
1-(4,6-dimethoxypyrimidin-2-yl)-3-methyl-1-(methylsulfamoyl)urea
CID 142648741
methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 23109792
2-(dimethylaminosulfamoyl)-6-fluorobenzenecarbothioamide
CID 83016871

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide (CID 70195005) is 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide is COc1cc(OC)nc(N(c2cccc(F)c2C(=O)N(C)C)S(=O)(=O)NC(N)=O)n1.
What is the InChIKey of 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide?
The InChIKey is PTRYOLPKJCIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O6S/c1-22(2)14(24)13-9(17)6-5-7-10(13)23(30(26,27)21-15(18)25)16-19-11(28-3)8-12(20-16)29-4/h5-8H,1-4H3,(H3,18,21,25).
What are the key properties of 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide?
2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide has a molecular weight of 442.43 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoylsulfamoyl-(4,6-dimethoxypyrimidin-2-yl)amino]-6-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 70195005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).