3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide

C22H21N3O5S — CID 24661271

IUPAC3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C22H21N3O5S/c26-22(24-10-8-16-3-2-9-23-13-16)18-4-1-5-19(12-18)31(27,28)25-14-17-6-7-20-21(11-17)30-15-29-20/h1-7,9,11-13,25H,8,10,14-15H2,(H,24,26)
InChIKeyRMVVTEUIQSCNKH-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.26
Rot. Bonds8

About 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide

3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 24661271) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID24661271
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C22H21N3O5S/c26-22(24-10-8-16-3-2-9-23-13-16)18-4-1-5-19(12-18)31(27,28)25-14-17-6-7-20-21(11-17)30-15-29-20/h1-7,9,11-13,25H,8,10,14-15H2,(H,24,26)
InChIKeyRMVVTEUIQSCNKH-UHFFFAOYSA-N
XLogP2.26
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-prop-2-enylbenzamide
CID 31529071
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 17425201
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 30260374
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
methyl 3-[2-(1,3-benzodioxol-5-yl)ethylsulfamoyl]benzoate
CID 31765938
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 109064543
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110787889

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide (CID 24661271) is 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide is O=C(NCCc1cccnc1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is RMVVTEUIQSCNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c26-22(24-10-8-16-3-2-9-23-13-16)18-4-1-5-19(12-18)31(27,28)25-14-17-6-7-20-21(11-17)30-15-29-20/h1-7,9,11-13,25H,8,10,14-15H2,(H,24,26).
What are the key properties of 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide?
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 439.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 24661271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).