N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

C23H30ClN3O4S — CID 27828142

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C23H30ClN3O4S/c1-3-27(4-2)32(29,30)20-9-5-18(6-10-20)7-12-23(28)25-21-17-19(24)8-11-22(21)26-13-15-31-16-14-26/h5-6,8-11,17H,3-4,7,12-16H2,1-2H3,(H,25,28)
InChIKeyVNNQNJBTBQFIOT-UHFFFAOYSA-N
MW480.03 g/mol
LogP3.78
Rot. Bonds9

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 27828142) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID27828142
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C23H30ClN3O4S/c1-3-27(4-2)32(29,30)20-9-5-18(6-10-20)7-12-23(28)25-21-17-19(24)8-11-22(21)26-13-15-31-16-14-26/h5-6,8-11,17H,3-4,7,12-16H2,1-2H3,(H,25,28)
InChIKeyVNNQNJBTBQFIOT-UHFFFAOYSA-N
XLogP3.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
3-cyclohexyl-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]propanamide
CID 3510468
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
CID 18168362
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide
CID 7892322
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
(E)-3-(2-chloro-6-fluorophenyl)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]prop-2-enamide
CID 16562763
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 27828142) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is VNNQNJBTBQFIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-3-27(4-2)32(29,30)20-9-5-18(6-10-20)7-12-23(28)25-21-17-19(24)8-11-22(21)26-13-15-31-16-14-26/h5-6,8-11,17H,3-4,7,12-16H2,1-2H3,(H,25,28).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 480.03 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 27828142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).