N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide

C18H24N2O4S — CID 112984101

IUPACN-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H24N2O4S/c1-4-25(21,22)20-16-8-6-15(7-9-16)19-12-11-14-5-10-17(23-2)18(13-14)24-3/h5-10,13,19-20H,4,11-12H2,1-3H3
InChIKeyUQHSAWOSRRGDBI-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.12
Rot. Bonds9

About N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide

N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide (PubChem CID 112984101) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
PubChem CID112984101
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H24N2O4S/c1-4-25(21,22)20-16-8-6-15(7-9-16)19-12-11-14-5-10-17(23-2)18(13-14)24-3/h5-10,13,19-20H,4,11-12H2,1-3H3
InChIKeyUQHSAWOSRRGDBI-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
2-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethanesulfonamide
CID 110673808
3-(2-aminoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylaniline
CID 143044166
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673839
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]-3-methylbutanamide
CID 112984074
N-[4-[5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 50823187
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydrazinylpyridin-3-amine
CID 82055014
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-methylpyridine-3,5-diamine
CID 104532597
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide (CID 112984101) is N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide?
The InChIKey is UQHSAWOSRRGDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-25(21,22)20-16-8-6-15(7-9-16)19-12-11-14-5-10-17(23-2)18(13-14)24-3/h5-10,13,19-20H,4,11-12H2,1-3H3.
What are the key properties of N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide?
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide is sourced from PubChem (CID 112984101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).