N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide

C21H32N4O5S — CID 55626129

IUPACN-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H32N4O5S/c1-23(18-5-3-2-4-6-18)31(27,28)25-13-11-24(12-14-25)10-9-21(26)22-17-7-8-19-20(15-17)30-16-29-19/h7-8,15,18H,2-6,9-14,16H2,1H3,(H,22,26)
InChIKeyXKOZKXVUFZSDFU-UHFFFAOYSA-N
MW452.58 g/mol
LogP1.87
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide (PubChem CID 55626129) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
PubChem CID55626129
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H32N4O5S/c1-23(18-5-3-2-4-6-18)31(27,28)25-13-11-24(12-14-25)10-9-21(26)22-17-7-8-19-20(15-17)30-16-29-19/h7-8,15,18H,2-6,9-14,16H2,1H3,(H,22,26)
InChIKeyXKOZKXVUFZSDFU-UHFFFAOYSA-N
XLogP1.87
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 55988325
2-[acetyl(cycloheptyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166420
3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55626282
N-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 51302524
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 18127481
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
2-[cycloheptyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113153161
N-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 13210213
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30957498
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
CID 51301770
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide (CID 55626129) is N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
The InChIKey is XKOZKXVUFZSDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c1-23(18-5-3-2-4-6-18)31(27,28)25-13-11-24(12-14-25)10-9-21(26)22-17-7-8-19-20(15-17)30-16-29-19/h7-8,15,18H,2-6,9-14,16H2,1H3,(H,22,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide has a molecular weight of 452.58 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55626129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).