N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C20H24N2O4S — CID 2599466

IUPACN-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-10-11-16(20(23)21-17-8-4-5-9-18(17)26-2)14-19(15)27(24,25)22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
InChIKeyPMWCAKMTCWRRHR-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.43
Rot. Bonds5

About N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2599466) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2599466
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-10-11-16(20(23)21-17-8-4-5-9-18(17)26-2)14-19(15)27(24,25)22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
InChIKeyPMWCAKMTCWRRHR-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyphenyl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 2599466) is N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PMWCAKMTCWRRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-10-11-16(20(23)21-17-8-4-5-9-18(17)26-2)14-19(15)27(24,25)22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2599466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).