N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide

C18H24N4O5S — CID 2252316

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C18H24N4O5S/c1-4-5-6-7-16(23)19-13-8-10-14(11-9-13)28(24,25)22-15-12-17(26-2)21-18(20-15)27-3/h8-12H,4-7H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyWRQHBDJYLHPGMX-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.81
Rot. Bonds10

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide (PubChem CID 2252316) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide
PubChem CID2252316
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C18H24N4O5S/c1-4-5-6-7-16(23)19-13-8-10-14(11-9-13)28(24,25)22-15-12-17(26-2)21-18(20-15)27-3/h8-12H,4-7H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyWRQHBDJYLHPGMX-UHFFFAOYSA-N
XLogP2.81
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide (CID 2252316) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide?
The InChIKey is WRQHBDJYLHPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-4-5-6-7-16(23)19-13-8-10-14(11-9-13)28(24,25)22-15-12-17(26-2)21-18(20-15)27-3/h8-12H,4-7H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide has a molecular weight of 408.48 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hexanamide is sourced from PubChem (CID 2252316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).