N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C21H35N3O4S — CID 51948819

IUPACN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCN2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H35N3O4S/c1-16-12-17(2)15-24(14-16)11-7-6-10-22-21(25)18-8-9-19(28-5)20(13-18)29(26,27)23(3)4/h8-9,13,16-17H,6-7,10-12,14-15H2,1-5H3,(H,22,25)/t16-,17+
InChIKeyCUDCYLZOOXDZIK-CALCHBBNSA-N
MW425.60 g/mol
LogP2.43
Rot. Bonds9

About N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 51948819) has the molecular formula C21H35N3O4S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID51948819
Molecular FormulaC21H35N3O4S
Molecular Weight425.60 g/mol
Exact Mass425.23
IUPAC NameN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCCN2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H35N3O4S/c1-16-12-17(2)15-24(14-16)11-7-6-10-22-21(25)18-8-9-19(28-5)20(13-18)29(26,27)23(3)4/h8-9,13,16-17H,6-7,10-12,14-15H2,1-5H3,(H,22,25)/t16-,17+
InChIKeyCUDCYLZOOXDZIK-CALCHBBNSA-N
XLogP2.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide 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

3-(dimethylsulfamoyl)-4-methoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide
CID 55717312
3-(dimethylsulfamoyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638847
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656851
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
N-[4-(4-chlorophenoxy)butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24552489
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973541
methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55777250

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 51948819) is N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCCCN2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is CUDCYLZOOXDZIK-CALCHBBNSA-N. The full InChI is InChI=1S/C21H35N3O4S/c1-16-12-17(2)15-24(14-16)11-7-6-10-22-21(25)18-8-9-19(28-5)20(13-18)29(26,27)23(3)4/h8-9,13,16-17H,6-7,10-12,14-15H2,1-5H3,(H,22,25)/t16-,17+.
What are the key properties of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 425.60 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 51948819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).