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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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).