N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide

C19H20N4O4S — CID 1086661

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)o1
InChIInChI=1S/C19H20N4O4S/c1-4-15-7-10-17(27-15)18(24)22-14-5-8-16(9-6-14)28(25,26)23-19-20-12(2)11-13(3)21-19/h5-11H,4H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyVAMKSKNLTHOIGT-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.30
Rot. Bonds6

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide (PubChem CID 1086661) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide
PubChem CID1086661
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)o1
InChIInChI=1S/C19H20N4O4S/c1-4-15-7-10-17(27-15)18(24)22-14-5-8-16(9-6-14)28(25,26)23-19-20-12(2)11-13(3)21-19/h5-11H,4H2,1-3H3,(H,22,24)(H,20,21,23)
InChIKeyVAMKSKNLTHOIGT-UHFFFAOYSA-N
XLogP3.30
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide (CID 1086661) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)o1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide?
The InChIKey is VAMKSKNLTHOIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-4-15-7-10-17(27-15)18(24)22-14-5-8-16(9-6-14)28(25,26)23-19-20-12(2)11-13(3)21-19/h5-11H,4H2,1-3H3,(H,22,24)(H,20,21,23).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 1086661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).