N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide

C20H33N3O4S — CID 3602856

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CC(C)(C)C)c1
InChIInChI=1S/C20H33N3O4S/c1-6-23(7-2)28(25,26)16-8-9-18(22-10-12-27-13-11-22)17(14-16)21-19(24)15-20(3,4)5/h8-9,14H,6-7,10-13,15H2,1-5H3,(H,21,24)
InChIKeyMCANCRZKKJGZCT-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.93
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide (PubChem CID 3602856) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
PubChem CID3602856
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CC(C)(C)C)c1
InChIInChI=1S/C20H33N3O4S/c1-6-23(7-2)28(25,26)16-8-9-18(22-10-12-27-13-11-22)17(14-16)21-19(24)15-20(3,4)5/h8-9,14H,6-7,10-13,15H2,1-5H3,(H,21,24)
InChIKeyMCANCRZKKJGZCT-UHFFFAOYSA-N
XLogP2.93
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-phenylprop-2-enamide
CID 4797773
(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
CID 18168362
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27828142
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16560707
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810870
N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]furan-2-carboxamide
CID 3564701

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide (CID 3602856) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CC(C)(C)C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide?
The InChIKey is MCANCRZKKJGZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-6-23(7-2)28(25,26)16-8-9-18(22-10-12-27-13-11-22)17(14-16)21-19(24)15-20(3,4)5/h8-9,14H,6-7,10-13,15H2,1-5H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide has a molecular weight of 411.57 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 3602856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).