N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide

C18H18N4O6S — CID 1247653

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)nc(OC)n1
InChIInChI=1S/C18H18N4O6S/c1-11-4-9-14(28-11)17(23)19-12-5-7-13(8-6-12)29(24,25)22-15-10-16(26-2)21-18(20-15)27-3/h4-10H,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyUELDXUWFOSLWEZ-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.45
Rot. Bonds7

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide (PubChem CID 1247653) has the molecular formula C18H18N4O6S and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide
PubChem CID1247653
Molecular FormulaC18H18N4O6S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)nc(OC)n1
InChIInChI=1S/C18H18N4O6S/c1-11-4-9-14(28-11)17(23)19-12-5-7-13(8-6-12)29(24,25)22-15-10-16(26-2)21-18(20-15)27-3/h4-10H,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyUELDXUWFOSLWEZ-UHFFFAOYSA-N
XLogP2.45
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide (CID 1247653) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide?
The InChIKey is UELDXUWFOSLWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6S/c1-11-4-9-14(28-11)17(23)19-12-5-7-13(8-6-12)29(24,25)22-15-10-16(26-2)21-18(20-15)27-3/h4-10H,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 1247653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).