N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

C24H33N3O4S — CID 55624076

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C24H33N3O4S/c1-5-27(6-2)32(29,30)23-13-11-22(12-14-23)25-24(28)21-9-7-20(8-10-21)17-26-15-18(3)31-19(4)16-26/h7-14,18-19H,5-6,15-17H2,1-4H3,(H,25,28)
InChIKeyQZMNKZWSLPZTQX-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.58
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (PubChem CID 55624076) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
PubChem CID55624076
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C24H33N3O4S/c1-5-27(6-2)32(29,30)23-13-11-22(12-14-23)25-24(28)21-9-7-20(8-10-21)17-26-15-18(3)31-19(4)16-26/h7-14,18-19H,5-6,15-17H2,1-4H3,(H,25,28)
InChIKeyQZMNKZWSLPZTQX-UHFFFAOYSA-N
XLogP3.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41468608
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)-dihydroxy-λ4-sulfanyl]phenyl]benzamide
CID 144711689
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 8615900

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (CID 55624076) is N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The InChIKey is QZMNKZWSLPZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-5-27(6-2)32(29,30)23-13-11-22(12-14-23)25-24(28)21-9-7-20(8-10-21)17-26-15-18(3)31-19(4)16-26/h7-14,18-19H,5-6,15-17H2,1-4H3,(H,25,28).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide has a molecular weight of 459.61 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is sourced from PubChem (CID 55624076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).