3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

C21H24N2O4S — CID 55862321

IUPAC3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H24N2O4S/c1-28(26,27)15-16-7-5-8-17(13-16)20(24)22-19-10-6-9-18(14-19)21(25)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,24)
InChIKeyBGMLXQXJGXAGCD-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.11
Rot. Bonds5

About 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 55862321) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID55862321
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H24N2O4S/c1-28(26,27)15-16-7-5-8-17(13-16)20(24)22-19-10-6-9-18(14-19)21(25)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,24)
InChIKeyBGMLXQXJGXAGCD-UHFFFAOYSA-N
XLogP3.11
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide 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-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
[3-(methylsulfonylmethyl)phenyl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627905
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
5-bromo-N-[3-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55775222
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55778199
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
2,2-dimethyl-1-[4-[3-(methylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 134021641
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (CID 55862321) is 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is CS(=O)(=O)Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is BGMLXQXJGXAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-28(26,27)15-16-7-5-8-17(13-16)20(24)22-19-10-6-9-18(14-19)21(25)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,22,24).
What are the key properties of 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55862321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).