N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide

C23H28N2O4S — CID 20628543

IUPACN-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(CCN(C)C)Cc2cccc3ccccc23)c1
InChIInChI=1S/C23H28N2O4S/c1-24(2)14-15-25(17-19-10-7-9-18-8-5-6-11-21(18)19)30(26,27)23-16-20(28-3)12-13-22(23)29-4/h5-13,16H,14-15,17H2,1-4H3
InChIKeyFZUCHSXQIJDAMS-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.61
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide (PubChem CID 20628543) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide
PubChem CID20628543
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(CCN(C)C)Cc2cccc3ccccc23)c1
InChIInChI=1S/C23H28N2O4S/c1-24(2)14-15-25(17-19-10-7-9-18-8-5-6-11-21(18)19)30(26,27)23-16-20(28-3)12-13-22(23)29-4/h5-13,16H,14-15,17H2,1-4H3
InChIKeyFZUCHSXQIJDAMS-UHFFFAOYSA-N
XLogP3.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
CID 55681499
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
methyl 3-[(2-bromophenyl)sulfonyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoate
CID 44602047
4-[2-[2-[butyl-(2,5-dimethoxyphenyl)sulfonylamino]phenyl]ethyl]benzoic acid;4-[2-[2-[butyl(naphthalen-1-ylsulfonyl)amino]phenyl]ethyl]benzoic acid
CID 158693022
N-(2-cyanoethyl)-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 3711528
N-(2-hydroxyethyl)-2,5-dimethoxy-N-prop-2-enylbenzenesulfonamide
CID 115754601
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4885068
N-[(2,4-dimethoxypyrimidin-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 162667090

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide (CID 20628543) is N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(CCN(C)C)Cc2cccc3ccccc23)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The InChIKey is FZUCHSXQIJDAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-24(2)14-15-25(17-19-10-7-9-18-8-5-6-11-21(18)19)30(26,27)23-16-20(28-3)12-13-22(23)29-4/h5-13,16H,14-15,17H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,5-dimethoxy-N-(naphthalen-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 20628543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).