N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

C25H39N3O4S — CID 55690819

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H39N3O4S/c1-3-28(4-2)33(31,32)23-13-10-20(11-14-23)12-15-24(29)26-22-16-18-27(19-17-22)25(30)21-8-6-5-7-9-21/h10-11,13-14,21-22H,3-9,12,15-19H2,1-2H3,(H,26,29)
InChIKeyLCAATJYISLUGCG-UHFFFAOYSA-N
MW477.67 g/mol
LogP3.34
Rot. Bonds9

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 55690819) has the molecular formula C25H39N3O4S and a molecular weight of 477.67 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID55690819
Molecular FormulaC25H39N3O4S
Molecular Weight477.67 g/mol
Exact Mass477.27
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H39N3O4S/c1-3-28(4-2)33(31,32)23-13-10-20(11-14-23)12-15-24(29)26-22-16-18-27(19-17-22)25(30)21-8-6-5-7-9-21/h10-11,13-14,21-22H,3-9,12,15-19H2,1-2H3,(H,26,29)
InChIKeyLCAATJYISLUGCG-UHFFFAOYSA-N
XLogP3.34
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55690967
N-(4-aminocyclohexyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119475644
N,N-diethyl-4-[3-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55662128
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609591
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119601816
N,N-diethyl-4-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119489192
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119601815
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
N,N-diethyl-4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832180

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 55690819) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is LCAATJYISLUGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O4S/c1-3-28(4-2)33(31,32)23-13-10-20(11-14-23)12-15-24(29)26-22-16-18-27(19-17-22)25(30)21-8-6-5-7-9-21/h10-11,13-14,21-22H,3-9,12,15-19H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 477.67 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55690819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).