N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide

C18H35N5O4S — CID 55482420

IUPACN-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H35N5O4S/c1-4-22(5-2)28(26,27)23-13-11-21(12-14-23)15(3)17(24)20-18(25)19-16-9-7-6-8-10-16/h15-16H,4-14H2,1-3H3,(H2,19,20,24,25)
InChIKeyKMESECHYSGLZEF-UHFFFAOYSA-N
MW417.58 g/mol
LogP0.74
Rot. Bonds7

About N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide

N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide (PubChem CID 55482420) has the molecular formula C18H35N5O4S and a molecular weight of 417.58 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide
PubChem CID55482420
Molecular FormulaC18H35N5O4S
Molecular Weight417.58 g/mol
Exact Mass417.24
IUPAC NameN-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H35N5O4S/c1-4-22(5-2)28(26,27)23-13-11-21(12-14-23)15(3)17(24)20-18(25)19-16-9-7-6-8-10-16/h15-16H,4-14H2,1-3H3,(H2,19,20,24,25)
InChIKeyKMESECHYSGLZEF-UHFFFAOYSA-N
XLogP0.74
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46595351
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 51073855
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 55354584
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-phenylpropanamide
CID 16597890
N-(cyclopentylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propanamide
CID 46650122
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55498702
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide (CID 55482420) is N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide is CCN(CC)S(=O)(=O)N1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide?
The InChIKey is KMESECHYSGLZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O4S/c1-4-22(5-2)28(26,27)23-13-11-21(12-14-23)15(3)17(24)20-18(25)19-16-9-7-6-8-10-16/h15-16H,4-14H2,1-3H3,(H2,19,20,24,25).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide?
N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide has a molecular weight of 417.58 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[4-(diethylsulfamoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55482420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).