2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide

C16H19N5O5S — CID 70594239

IUPAC2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)N(C)C)ncc1C
InChIInChI=1S/C16H19N5O5S/c1-10-9-17-15(18-13(10)26-4)19-16(23)20-27(24,25)12-8-6-5-7-11(12)14(22)21(2)3/h5-9H,1-4H3,(H2,17,18,19,20,23)
InChIKeyWBYZDIXTKDUVHJ-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.01
Rot. Bonds5

About 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide

2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide (PubChem CID 70594239) has the molecular formula C16H19N5O5S and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide
PubChem CID70594239
Molecular FormulaC16H19N5O5S
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)N(C)C)ncc1C
InChIInChI=1S/C16H19N5O5S/c1-10-9-17-15(18-13(10)26-4)19-16(23)20-27(24,25)12-8-6-5-7-11(12)14(22)21(2)3/h5-9H,1-4H3,(H2,17,18,19,20,23)
InChIKeyWBYZDIXTKDUVHJ-UHFFFAOYSA-N
XLogP1.01
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(4-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 19812309
methyl 2-(pyrimidin-2-ylcarbamoylsulfamoyl)benzoate
CID 13176579
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67617129
phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
CID 67824669
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 19418320
ethyl 2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 14721641
methyl 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 146679051
[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate
CID 13473132
methyl 2-[(2-carbamoylphenyl)carbamoylsulfamoyl]benzoate
CID 110190793
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-4-nitrobenzamide;ethyl acetate
CID 160951420
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea;2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67709902

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide (CID 70594239) is 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide is COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)N(C)C)ncc1C.
What is the InChIKey of 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is WBYZDIXTKDUVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5S/c1-10-9-17-15(18-13(10)26-4)19-16(23)20-27(24,25)12-8-6-5-7-11(12)14(22)21(2)3/h5-9H,1-4H3,(H2,17,18,19,20,23).
What are the key properties of 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide?
2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 393.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-5-methylpyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 70594239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).