3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide

C21H26N2O3S — CID 46385925

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O3S/c1-16(2)22-21(24)19-8-6-7-18(15-19)17-9-11-20(12-10-17)27(25,26)23-13-4-3-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyNZQPUGMYXFLAJR-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.67
Rot. Bonds5

About 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide

3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide (PubChem CID 46385925) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
PubChem CID46385925
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O3S/c1-16(2)22-21(24)19-8-6-7-18(15-19)17-9-11-20(12-10-17)27(25,26)23-13-4-3-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyNZQPUGMYXFLAJR-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide 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-[(1S)-1-(4-methylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92882379
N-[(1R)-1-(4-methylphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92882378
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
N-(3,4-dimethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385896
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385878
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46385955
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53285817
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385972
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide (CID 46385925) is 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide?
The InChIKey is NZQPUGMYXFLAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16(2)22-21(24)19-8-6-7-18(15-19)17-9-11-20(12-10-17)27(25,26)23-13-4-3-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide?
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 46385925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).