N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide

C20H24N2O3S — CID 47029348

IUPACN-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O3S/c1-26(24,25)21-19-8-5-13-22(15-19)20(23)14-16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-4,6-7,9-12,19,21H,5,8,13-15H2,1H3
InChIKeyPHGDNGOWNXJGAP-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.44
Rot. Bonds5

About N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide

N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide (PubChem CID 47029348) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
PubChem CID47029348
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O3S/c1-26(24,25)21-19-8-5-13-22(15-19)20(23)14-16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-4,6-7,9-12,19,21H,5,8,13-15H2,1H3
InChIKeyPHGDNGOWNXJGAP-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide 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-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
N-[1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidin-3-yl]methanesulfonamide
CID 55679023
4-[3-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 125151434
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 154838972
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone
CID 90585167
N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 97072958
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079183
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25452719
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide (CID 47029348) is N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is PHGDNGOWNXJGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-26(24,25)21-19-8-5-13-22(15-19)20(23)14-16-9-11-18(12-10-16)17-6-3-2-4-7-17/h2-4,6-7,9-12,19,21H,5,8,13-15H2,1H3.
What are the key properties of N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 47029348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).