N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide

C26H26N2O5S — CID 46385972

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C26H26N2O5S/c29-26(27-17-19-7-12-24-25(15-19)33-18-32-24)22-6-4-5-21(16-22)20-8-10-23(11-9-20)34(30,31)28-13-2-1-3-14-28/h4-12,15-16H,1-3,13-14,17-18H2,(H,27,29)
InChIKeyDXGPUIPMUOWFFV-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.19
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 46385972) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID46385972
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C26H26N2O5S/c29-26(27-17-19-7-12-24-25(15-19)33-18-32-24)22-6-4-5-21(16-22)20-8-10-23(11-9-20)34(30,31)28-13-2-1-3-14-28/h4-12,15-16H,1-3,13-14,17-18H2,(H,27,29)
InChIKeyDXGPUIPMUOWFFV-UHFFFAOYSA-N
XLogP4.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2704676
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26911264
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3236436
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385878
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111845420
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1252193
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136025
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 4879686
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 46385972) is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(NCc1ccc2c(c1)OCO2)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is DXGPUIPMUOWFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S/c29-26(27-17-19-7-12-24-25(15-19)33-18-32-24)22-6-4-5-21(16-22)20-8-10-23(11-9-20)34(30,31)28-13-2-1-3-14-28/h4-12,15-16H,1-3,13-14,17-18H2,(H,27,29).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 478.57 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46385972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).