N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide

C18H23NO5S — CID 110412902

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H23NO5S/c1-22-16-6-4-5-14(11-16)9-10-25(20,21)19-13-15-7-8-17(23-2)18(12-15)24-3/h4-8,11-12,19H,9-10,13H2,1-3H3
InChIKeyWEIFJGAZMVEKQP-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.37
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110412902) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110412902
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C18H23NO5S/c1-22-16-6-4-5-14(11-16)9-10-25(20,21)19-13-15-7-8-17(23-2)18(12-15)24-3/h4-8,11-12,19H,9-10,13H2,1-3H3
InChIKeyWEIFJGAZMVEKQP-UHFFFAOYSA-N
XLogP2.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
CID 110780051
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408195
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide (CID 110412902) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(CCS(=O)(=O)NCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is WEIFJGAZMVEKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-22-16-6-4-5-14(11-16)9-10-25(20,21)19-13-15-7-8-17(23-2)18(12-15)24-3/h4-8,11-12,19H,9-10,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110412902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).