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

C19H25N5O5S — CID 1051582

IUPAC1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)nc(OC)n1
InChIInChI=1S/C19H25N5O5S/c1-28-17-12-16(22-19(23-17)29-2)24-30(26,27)15-10-8-14(9-11-15)21-18(25)20-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,20,21,25)(H,22,23,24)
InChIKeyONFXUMNMGGBOJJ-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.75
Rot. Bonds7

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

1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea (PubChem CID 1051582) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
PubChem CID1051582
Molecular FormulaC19H25N5O5S
Molecular Weight435.51 g/mol
Exact Mass435.16
IUPAC Name1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)nc(OC)n1
InChIInChI=1S/C19H25N5O5S/c1-28-17-12-16(22-19(23-17)29-2)24-30(26,27)15-10-8-14(9-11-15)21-18(25)20-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,20,21,25)(H,22,23,24)
InChIKeyONFXUMNMGGBOJJ-UHFFFAOYSA-N
XLogP2.75
TPSA131.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea (CID 1051582) is 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea is COc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)nc(OC)n1.
What is the InChIKey of 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea?
The InChIKey is ONFXUMNMGGBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S/c1-28-17-12-16(22-19(23-17)29-2)24-30(26,27)15-10-8-14(9-11-15)21-18(25)20-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,20,21,25)(H,22,23,24).
What are the key properties of 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea?
1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea has a molecular weight of 435.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 1051582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).