4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide

C18H23NO4S — CID 112822977

IUPAC4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H23NO4S/c1-13-10-16(11-14(2)18(13)23-5)24(20,21)19(3)12-15-8-6-7-9-17(15)22-4/h6-11H,12H2,1-5H3
InChIKeyGJESNHXTCUMDNV-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.14
Rot. Bonds6

About 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide

4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide (PubChem CID 112822977) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
PubChem CID112822977
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H23NO4S/c1-13-10-16(11-14(2)18(13)23-5)24(20,21)19(3)12-15-8-6-7-9-17(15)22-4/h6-11H,12H2,1-5H3
InChIKeyGJESNHXTCUMDNV-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 9317045
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823204
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823029
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 30329873

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide (CID 112822977) is 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide is COc1ccccc1CN(C)S(=O)(=O)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide?
The InChIKey is GJESNHXTCUMDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-13-10-16(11-14(2)18(13)23-5)24(20,21)19(3)12-15-8-6-7-9-17(15)22-4/h6-11H,12H2,1-5H3.
What are the key properties of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide?
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 112822977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).