N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

C20H24N2O5S — CID 2682841

IUPACN-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-26-18-10-9-16(14-19(18)27-2)21-20(23)15-7-6-8-17(13-15)28(24,25)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyPIYHDCIWWNIZOH-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.13
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2682841) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2682841
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-26-18-10-9-16(14-19(18)27-2)21-20(23)15-7-6-8-17(13-15)28(24,25)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,21,23)
InChIKeyPIYHDCIWWNIZOH-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 N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide 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

N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385896
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(3,5-difluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 87031517
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 2682841) is N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PIYHDCIWWNIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-18-10-9-16(14-19(18)27-2)21-20(23)15-7-6-8-17(13-15)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 N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide 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 N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2682841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).