N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane

C21H42N2O5S — CID 143534378

IUPACN-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane
SMILESCC.CC.COc1cc(C)c(S(=O)(=O)N(CCOCCO)CCN(C)C)c(C)c1
InChIInChI=1S/C17H30N2O5S.2C2H6/c1-14-12-16(23-5)13-15(2)17(14)25(21,22)19(7-6-18(3)4)8-10-24-11-9-20;2*1-2/h12-13,20H,6-11H2,1-5H3;2*1-2H3
InChIKeySKMACXPYDGZCDW-UHFFFAOYSA-N
MW434.64 g/mol
LogP2.93
Rot. Bonds11

About N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane

N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane (PubChem CID 143534378) has the molecular formula C21H42N2O5S and a molecular weight of 434.64 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane
PubChem CID143534378
Molecular FormulaC21H42N2O5S
Molecular Weight434.64 g/mol
Exact Mass434.28
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane
SMILESCC.CC.COc1cc(C)c(S(=O)(=O)N(CCOCCO)CCN(C)C)c(C)c1
InChIInChI=1S/C17H30N2O5S.2C2H6/c1-14-12-16(23-5)13-15(2)17(14)25(21,22)19(7-6-18(3)4)8-10-24-11-9-20;2*1-2/h12-13,20H,6-11H2,1-5H3;2*1-2H3
InChIKeySKMACXPYDGZCDW-UHFFFAOYSA-N
XLogP2.93
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.64
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane (CID 143534378) is N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane is CC.CC.COc1cc(C)c(S(=O)(=O)N(CCOCCO)CCN(C)C)c(C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane?
The InChIKey is SKMACXPYDGZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5S.2C2H6/c1-14-12-16(23-5)13-15(2)17(14)25(21,22)19(7-6-18(3)4)8-10-24-11-9-20;2*1-2/h12-13,20H,6-11H2,1-5H3;2*1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane?
N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane has a molecular weight of 434.64 g/mol, XLogP of 2.93, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide;ethane is sourced from PubChem (CID 143534378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).