N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide

C18H18N4O4S — CID 3243546

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)nc(C)n1
InChIInChI=1S/C18H18N4O4S/c1-11-10-17(20-13(3)19-11)22-27(24,25)15-6-4-14(5-7-15)21-18(23)16-8-9-26-12(16)2/h4-10H,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyBMJRUKFONIEDAE-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 3243546) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID3243546
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)nc(C)n1
InChIInChI=1S/C18H18N4O4S/c1-11-10-17(20-13(3)19-11)22-27(24,25)15-6-4-14(5-7-15)21-18(23)16-8-9-26-12(16)2/h4-10H,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyBMJRUKFONIEDAE-UHFFFAOYSA-N
XLogP3.05
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-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-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide (CID 3243546) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is BMJRUKFONIEDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-10-17(20-13(3)19-11)22-27(24,25)15-6-4-14(5-7-15)21-18(23)16-8-9-26-12(16)2/h4-10H,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 3243546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).