N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C22H26N4O5S2 — CID 24611419

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CN(Cc2csc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)n2)CC(C)O1
InChIInChI=1S/C22H26N4O5S2/c1-15-11-26(12-16(2)31-15)13-18-14-32-22(24-18)25-21(27)17-5-7-20(8-6-17)33(28,29)23-10-19-4-3-9-30-19/h3-9,14-16,23H,10-13H2,1-2H3,(H,24,25,27)
InChIKeyIDNNGBGFWIFKNB-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.08
Rot. Bonds8

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24611419) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID24611419
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CN(Cc2csc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)n2)CC(C)O1
InChIInChI=1S/C22H26N4O5S2/c1-15-11-26(12-16(2)31-15)13-18-14-32-22(24-18)25-21(27)17-5-7-20(8-6-17)33(28,29)23-10-19-4-3-9-30-19/h3-9,14-16,23H,10-13H2,1-2H3,(H,24,25,27)
InChIKeyIDNNGBGFWIFKNB-UHFFFAOYSA-N
XLogP3.08
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 98392756
4-(furan-2-ylmethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 17404485
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
4-(difluoromethoxy)-N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 25487753
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 30197869
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
N-[4-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 25468282
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 24611223
3-(dimethylamino)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 47018230
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24611330
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 25466368

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 24611419) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is CC1CN(Cc2csc(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)n2)CC(C)O1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is IDNNGBGFWIFKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-15-11-26(12-16(2)31-15)13-18-14-32-22(24-18)25-21(27)17-5-7-20(8-6-17)33(28,29)23-10-19-4-3-9-30-19/h3-9,14-16,23H,10-13H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 490.61 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24611419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).