N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide

C17H20N2O5S — CID 649025

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC(C)O1
InChIInChI=1S/C17H20N2O5S/c1-12-10-19(11-13(2)24-12)25(21,22)15-7-5-14(6-8-15)18-17(20)16-4-3-9-23-16/h3-9,12-13H,10-11H2,1-2H3,(H,18,20)
InChIKeyQLZFOXDTTILUAO-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.33
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide (PubChem CID 649025) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide
PubChem CID649025
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC(C)O1
InChIInChI=1S/C17H20N2O5S/c1-12-10-19(11-13(2)24-12)25(21,22)15-7-5-14(6-8-15)18-17(20)16-4-3-9-23-16/h3-9,12-13H,10-11H2,1-2H3,(H,18,20)
InChIKeyQLZFOXDTTILUAO-UHFFFAOYSA-N
XLogP2.33
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide (CID 649025) is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide is CC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide?
The InChIKey is QLZFOXDTTILUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-12-10-19(11-13(2)24-12)25(21,22)15-7-5-14(6-8-15)18-17(20)16-4-3-9-23-16/h3-9,12-13H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]furan-2-carboxamide is sourced from PubChem (CID 649025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).