3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

C24H39N3O4S — CID 31328580

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C24H39N3O4S/c1-3-27(4-2)32(29,30)22-11-8-21(9-12-22)10-13-23(28)25-20-24(14-6-5-7-15-24)26-16-18-31-19-17-26/h8-9,11-12H,3-7,10,13-20H2,1-2H3,(H,25,28)
InChIKeyJRBOUOAMVJNFHG-UHFFFAOYSA-N
MW465.66 g/mol
LogP2.80
Rot. Bonds10

About 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 31328580) has the molecular formula C24H39N3O4S and a molecular weight of 465.66 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID31328580
Molecular FormulaC24H39N3O4S
Molecular Weight465.66 g/mol
Exact Mass465.27
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C24H39N3O4S/c1-3-27(4-2)32(29,30)22-11-8-21(9-12-22)10-13-23(28)25-20-24(14-6-5-7-15-24)26-16-18-31-19-17-26/h8-9,11-12H,3-7,10,13-20H2,1-2H3,(H,25,28)
InChIKeyJRBOUOAMVJNFHG-UHFFFAOYSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 37259435
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 55658582
2-[(4-ethylphenyl)methyl-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18087679
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 39711649
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide
CID 36559680
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27828142
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 31328580) is 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is JRBOUOAMVJNFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4S/c1-3-27(4-2)32(29,30)22-11-8-21(9-12-22)10-13-23(28)25-20-24(14-6-5-7-15-24)26-16-18-31-19-17-26/h8-9,11-12H,3-7,10,13-20H2,1-2H3,(H,25,28).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 465.66 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 31328580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).