3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C20H24N2O5S — CID 4799976

IUPAC3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1
InChIInChI=1S/C20H24N2O5S/c1-26-16-8-6-7-15(13-16)20(23)21-18-14-17(9-10-19(18)27-2)28(24,25)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyJCVSYWFXBGHWIT-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.13
Rot. Bonds6

About 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4799976) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4799976
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1
InChIInChI=1S/C20H24N2O5S/c1-26-16-8-6-7-15(13-16)20(23)21-18-14-17(9-10-19(18)27-2)28(24,25)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyJCVSYWFXBGHWIT-UHFFFAOYSA-N
XLogP3.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 4799976) is 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)c1.
What is the InChIKey of 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is JCVSYWFXBGHWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-16-8-6-7-15(13-16)20(23)21-18-14-17(9-10-19(18)27-2)28(24,25)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 404.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4799976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).