1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

C17H19N5O6S — CID 6451137

IUPAC1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1
InChIInChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)
InChIKeyOFSLKOLYLQSJPB-UHFFFAOYSA-N
MW421.44 g/mol
LogP1.56
Rot. Bonds8

About 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea (PubChem CID 6451137) has the molecular formula C17H19N5O6S and a molecular weight of 421.44 g/mol. Its IUPAC name is 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea.

Molecular Properties

Compound Name1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
PubChem CID6451137
Molecular FormulaC17H19N5O6S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC Name1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1
InChIInChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)
InChIKeyOFSLKOLYLQSJPB-UHFFFAOYSA-N
XLogP1.56
TPSA148.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The IUPAC name of 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea (CID 6451137) is 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea.
What is the SMILES notation for 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The canonical SMILES for 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1.
What is the InChIKey of 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea?
The InChIKey is OFSLKOLYLQSJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24).
What are the key properties of 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea?
1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea has a molecular weight of 421.44 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea is sourced from PubChem (CID 6451137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).