2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide

C22H28N2O4S — CID 139000603

IUPAC2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC(C)(c3ccccc3)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H28N2O4S/c1-22(18-9-6-5-7-10-18)13-8-14-24(16-22)21(25)17-11-12-19(28-4)20(15-17)29(26,27)23(2)3/h5-7,9-12,15H,8,13-14,16H2,1-4H3
InChIKeyBCWUKSAILRFQTI-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.14
Rot. Bonds5

About 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide

2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 139000603) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID139000603
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC(C)(c3ccccc3)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H28N2O4S/c1-22(18-9-6-5-7-10-18)13-8-14-24(16-22)21(25)17-11-12-19(28-4)20(15-17)29(26,27)23(2)3/h5-7,9-12,15H,8,13-14,16H2,1-4H3
InChIKeyBCWUKSAILRFQTI-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N,N-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 60605685
2-[2-methoxy-4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 119129651
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
4-methoxy-3-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 72930852
2-methoxy-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55917751
5-benzoyl-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 15922038
2-methoxy-N,N-dimethyl-5-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55587046
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256273
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 120816050
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide (CID 139000603) is 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)N2CCCC(C)(c3ccccc3)C2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is BCWUKSAILRFQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-22(18-9-6-5-7-10-18)13-8-14-24(16-22)21(25)17-11-12-19(28-4)20(15-17)29(26,27)23(2)3/h5-7,9-12,15H,8,13-14,16H2,1-4H3.
What are the key properties of 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide?
2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 139000603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).