N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide

C22H27N3O4S — CID 1118039

IUPACN-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O4S/c26-22(23-19-6-8-20(9-7-19)24-14-16-29-17-15-24)18-4-10-21(11-5-18)30(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-17H2,(H,23,26)
InChIKeyJYWLFTULLFWSDT-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.95
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 1118039) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID1118039
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O4S/c26-22(23-19-6-8-20(9-7-19)24-14-16-29-17-15-24)18-4-10-21(11-5-18)30(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-17H2,(H,23,26)
InChIKeyJYWLFTULLFWSDT-UHFFFAOYSA-N
XLogP2.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068
Ethyl 4-[4-[(4-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 5001502
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 1118039) is N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is JYWLFTULLFWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c26-22(23-19-6-8-20(9-7-19)24-14-16-29-17-15-24)18-4-10-21(11-5-18)30(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-17H2,(H,23,26).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 429.54 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1118039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).