2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide

C17H21N5O6S — CID 13176658

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)NC(C)C)n1
InChIInChI=1S/C17H21N5O6S/c1-10(2)18-15(23)11-7-5-6-8-12(11)29(25,26)22-17(24)21-16-19-13(27-3)9-14(20-16)28-4/h5-10H,1-4H3,(H,18,23)(H2,19,20,21,22,24)
InChIKeyWQROQDMJNWECLJ-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.14
Rot. Bonds7

About 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide

2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 13176658) has the molecular formula C17H21N5O6S and a molecular weight of 423.45 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide
PubChem CID13176658
Molecular FormulaC17H21N5O6S
Molecular Weight423.45 g/mol
Exact Mass423.12
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)NC(C)C)n1
InChIInChI=1S/C17H21N5O6S/c1-10(2)18-15(23)11-7-5-6-8-12(11)29(25,26)22-17(24)21-16-19-13(27-3)9-14(20-16)28-4/h5-10H,1-4H3,(H,18,23)(H2,19,20,21,22,24)
InChIKeyWQROQDMJNWECLJ-UHFFFAOYSA-N
XLogP1.14
TPSA148.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide (CID 13176658) is 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)NC(C)C)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is WQROQDMJNWECLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O6S/c1-10(2)18-15(23)11-7-5-6-8-12(11)29(25,26)22-17(24)21-16-19-13(27-3)9-14(20-16)28-4/h5-10H,1-4H3,(H,18,23)(H2,19,20,21,22,24).
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide?
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 423.45 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 13176658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).