N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide

C23H27Cl2N3O4S — CID 16661714

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc(N(Cc3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C23H27Cl2N3O4S/c1-16(29)27-12-10-17(11-13-27)14-26-23(30)18-6-8-20(9-7-18)28(33(2,31)32)15-19-4-3-5-21(24)22(19)25/h3-9,17H,10-15H2,1-2H3,(H,26,30)
InChIKeyDVCVOUCOOVWBEI-UHFFFAOYSA-N
MW512.46 g/mol
LogP3.95
Rot. Bonds7

About N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide

N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 16661714) has the molecular formula C23H27Cl2N3O4S and a molecular weight of 512.46 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID16661714
Molecular FormulaC23H27Cl2N3O4S
Molecular Weight512.46 g/mol
Exact Mass511.11
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc(N(Cc3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C23H27Cl2N3O4S/c1-16(29)27-12-10-17(11-13-27)14-26-23(30)18-6-8-20(9-7-18)28(33(2,31)32)15-19-4-3-5-21(24)22(19)25/h3-9,17H,10-15H2,1-2H3,(H,26,30)
InChIKeyDVCVOUCOOVWBEI-UHFFFAOYSA-N
XLogP3.95
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]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-(2-chlorobenzyl)-N-[4-(pyrrolidin-1-ylcarbonyl)phenyl]methanesulfonamide
CID 3492355
2-chloro-N-[4-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 887708
N-(3,4-dichlorophenyl)-N-(3-{4-[4-(methylcarbamoyl)benzyl]-piperidin-1-yl}propyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5275763
4-Piperidinecarboxamide, N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorobenzoyl)amino]-1-piperidinyl]propyl]-1-(methylsulfonyl)-
CID 11578088
N-(4-(3,4-dichlorobenzamido)benzyl)-N,N-dimethylcyclohexanaminium
CID 11640044
N-[4-(3-Chloro-phenyl)-piperazin-2-ylmethyl]-4-methanesulfonylamino-benzamide
CID 14998858
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide
CID 146649764
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide
CID 146649767
3,4-dichloro-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 53251728
3,4-dichloro-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 53251730
3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
CID 53252036
N-((2,4-dichlorophenyl)methyl)-4-methanesulfonamidobenzamide
CID 1243054

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide (CID 16661714) is N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide is CC(=O)N1CCC(CNC(=O)c2ccc(N(Cc3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is DVCVOUCOOVWBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O4S/c1-16(29)27-12-10-17(11-13-27)14-26-23(30)18-6-8-20(9-7-18)28(33(2,31)32)15-19-4-3-5-21(24)22(19)25/h3-9,17H,10-15H2,1-2H3,(H,26,30).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide?
N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 512.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 16661714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).