3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide

C16H20N6O6S — CID 134692036

IUPAC3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)n1
InChIInChI=1S/C16H20N6O6S/c1-22(2)14(23)10-6-5-7-11(8-10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)
InChIKeyZYTDPWFEPDOYMB-UHFFFAOYSA-N
MW424.44 g/mol
LogP0.67
Rot. Bonds7

About 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide

3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide (PubChem CID 134692036) has the molecular formula C16H20N6O6S and a molecular weight of 424.44 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
PubChem CID134692036
Molecular FormulaC16H20N6O6S
Molecular Weight424.44 g/mol
Exact Mass424.12
IUPAC Name3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)n1
InChIInChI=1S/C16H20N6O6S/c1-22(2)14(23)10-6-5-7-11(8-10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)
InChIKeyZYTDPWFEPDOYMB-UHFFFAOYSA-N
XLogP0.67
TPSA151.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

Orthosulfamuron
CID 11091168
Foramsulfuron
CID 11419598
Cyclosulfamuron
CID 6451137
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide
CID 213014
5-amino-N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-2-dimethylaminocarbonylbenzenesulfonamide
CID 10862795
N-(2-aminophenyl)-4-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]benzamide
CID 20786069
N-{[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonothioyl}benzamide
CID 1122207
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-oxo-3-(2-piperidin-1-ylethyl)quinazoline-7-carboxamide
CID 44523900
N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide
CID 929504
N-[1-amino-3-[(4,6-dimethoxypyrimidin-2-yl)amino]-1-oxopropan-2-yl]benzamide
CID 2801454
N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2,6-difluoro-benzamide
CID 15956667
1-benzoyl-N-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 172435346

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide (CID 134692036) is 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide is COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)n1.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide?
The InChIKey is ZYTDPWFEPDOYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-6-5-7-11(8-10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24).
What are the key properties of 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide?
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide has a molecular weight of 424.44 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 134692036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).