5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide

C22H37N3O4S — CID 55591057

IUPAC5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)C(C)CC(C)C)c1
InChIInChI=1S/C22H37N3O4S/c1-7-25(8-2)30(27,28)19-9-10-21(24-11-13-29-14-12-24)20(16-19)22(26)23(6)18(5)15-17(3)4/h9-10,16-18H,7-8,11-15H2,1-6H3
InChIKeyFCUUFEDWXRBBCU-UHFFFAOYSA-N
MW439.62 g/mol
LogP3.06
Rot. Bonds9

About 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide

5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide (PubChem CID 55591057) has the molecular formula C22H37N3O4S and a molecular weight of 439.62 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
PubChem CID55591057
Molecular FormulaC22H37N3O4S
Molecular Weight439.62 g/mol
Exact Mass439.25
IUPAC Name5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)C(C)CC(C)C)c1
InChIInChI=1S/C22H37N3O4S/c1-7-25(8-2)30(27,28)19-9-10-21(24-11-13-29-14-12-24)20(16-19)22(26)23(6)18(5)15-17(3)4/h9-10,16-18H,7-8,11-15H2,1-6H3
InChIKeyFCUUFEDWXRBBCU-UHFFFAOYSA-N
XLogP3.06
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.62
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 30929978
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
N-[(5-chlorothiophen-2-yl)methyl]-5-(diethylsulfamoyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 55360763
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-morpholin-4-ylbenzamide;hydrochloride
CID 119383889
2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119358812
5-(diethylsulfamoyl)-N-[1-(4-methoxyphenyl)propyl]-2-morpholin-4-ylbenzamide
CID 55371511
5-(diethylsulfamoyl)-N-(2,5-dimethylpyrazol-3-yl)-2-morpholin-4-ylbenzamide
CID 55669464
5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N,N-diethyl-4-morpholin-4-yl-3-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 55549228
5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-morpholin-4-ylbenzamide
CID 55990599

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide (CID 55591057) is 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N(C)C(C)CC(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide?
The InChIKey is FCUUFEDWXRBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4S/c1-7-25(8-2)30(27,28)19-9-10-21(24-11-13-29-14-12-24)20(16-19)22(26)23(6)18(5)15-17(3)4/h9-10,16-18H,7-8,11-15H2,1-6H3.
What are the key properties of 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide?
5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide has a molecular weight of 439.62 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-methyl-N-(4-methylpentan-2-yl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 55591057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).