N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide

C21H31N5O3S — CID 55626339

IUPACN-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C21H31N5O3S/c1-24(19-8-3-2-4-9-19)30(28,29)26-15-13-25(14-16-26)12-11-21(27)23-20-10-6-5-7-18(20)17-22/h5-7,10,19H,2-4,8-9,11-16H2,1H3,(H,23,27)
InChIKeyOJXMBZDVTFJCNG-UHFFFAOYSA-N
MW433.58 g/mol
LogP2.01
Rot. Bonds7

About N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide

N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide (PubChem CID 55626339) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
PubChem CID55626339
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC NameN-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C21H31N5O3S/c1-24(19-8-3-2-4-9-19)30(28,29)26-15-13-25(14-16-26)12-11-21(27)23-20-10-6-5-7-18(20)17-22/h5-7,10,19H,2-4,8-9,11-16H2,1H3,(H,23,27)
InChIKeyOJXMBZDVTFJCNG-UHFFFAOYSA-N
XLogP2.01
TPSA96.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55626282
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 55988325
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155
N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626129
N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680074
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55626263
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
CID 55626213
N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 63207235

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide (CID 55626339) is N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The InChIKey is OJXMBZDVTFJCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-24(19-8-3-2-4-9-19)30(28,29)26-15-13-25(14-16-26)12-11-21(27)23-20-10-6-5-7-18(20)17-22/h5-7,10,19H,2-4,8-9,11-16H2,1H3,(H,23,27).
What are the key properties of N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide has a molecular weight of 433.58 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55626339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).