N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide

C20H26N4O5S2 — CID 3564701

IUPACN-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccco2)c1
InChIInChI=1S/C20H26N4O5S2/c1-3-24(4-2)31(26,27)15-7-8-17(23-9-12-28-13-10-23)16(14-15)21-20(30)22-19(25)18-6-5-11-29-18/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3,(H2,21,22,25,30)
InChIKeyYIXCPFFSKYBCHP-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.27
Rot. Bonds7

About N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide

N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 3564701) has the molecular formula C20H26N4O5S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide
PubChem CID3564701
Molecular FormulaC20H26N4O5S2
Molecular Weight466.59 g/mol
Exact Mass466.13
IUPAC NameN-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccco2)c1
InChIInChI=1S/C20H26N4O5S2/c1-3-24(4-2)31(26,27)15-7-8-17(23-9-12-28-13-10-23)16(14-15)21-20(30)22-19(25)18-6-5-11-29-18/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3,(H2,21,22,25,30)
InChIKeyYIXCPFFSKYBCHP-UHFFFAOYSA-N
XLogP2.27
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
CID 4797773
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16560707
(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
CID 18168362
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810870
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 25406414
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4856797

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide (CID 3564701) is N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccco2)c1.
What is the InChIKey of N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is YIXCPFFSKYBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S2/c1-3-24(4-2)31(26,27)15-7-8-17(23-9-12-28-13-10-23)16(14-15)21-20(30)22-19(25)18-6-5-11-29-18/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3,(H2,21,22,25,30).
What are the key properties of N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide?
N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 3564701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).