4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide

C22H28N2O5S — CID 43909211

IUPAC4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N2O5S/c1-23(16-17-9-5-6-10-20(17)28-2)30(26,27)18-11-12-21(29-3)19(15-18)22(25)24-13-7-4-8-14-24/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3
InChIKeyVCSDROIFCJPJIY-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.15
Rot. Bonds7

About 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide

4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 43909211) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID43909211
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N2O5S/c1-23(16-17-9-5-6-10-20(17)28-2)30(26,27)18-11-12-21(29-3)19(15-18)22(25)24-13-7-4-8-14-24/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3
InChIKeyVCSDROIFCJPJIY-UHFFFAOYSA-N
XLogP3.15
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepane-1-carbonyl)-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 100768633
1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 27260946
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7964116
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909
4-methoxy-N-(4-phenylbutan-2-yl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17200530
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113151179
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
3-(azepane-1-carbonyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 100577143

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 43909211) is 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide is COc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VCSDROIFCJPJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-23(16-17-9-5-6-10-20(17)28-2)30(26,27)18-11-12-21(29-3)19(15-18)22(25)24-13-7-4-8-14-24/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3.
What are the key properties of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide?
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 432.54 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 43909211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).