N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide

C16H28N2O4S — CID 71846458

IUPACN-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCCN(CCCNS(=O)(=O)CCOCCOC)c1ccccc1
InChIInChI=1S/C16H28N2O4S/c1-3-18(16-8-5-4-6-9-16)11-7-10-17-23(19,20)15-14-22-13-12-21-2/h4-6,8-9,17H,3,7,10-15H2,1-2H3
InChIKeyMUZPVMYUBBKFJY-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.49
Rot. Bonds13

About N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide

N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 71846458) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID71846458
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC NameN-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCCN(CCCNS(=O)(=O)CCOCCOC)c1ccccc1
InChIInChI=1S/C16H28N2O4S/c1-3-18(16-8-5-4-6-9-16)11-7-10-17-23(19,20)15-14-22-13-12-21-2/h4-6,8-9,17H,3,7,10-15H2,1-2H3
InChIKeyMUZPVMYUBBKFJY-UHFFFAOYSA-N
XLogP1.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide (CID 71846458) is N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide is CCN(CCCNS(=O)(=O)CCOCCOC)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is MUZPVMYUBBKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-3-18(16-8-5-4-6-9-16)11-7-10-17-23(19,20)15-14-22-13-12-21-2/h4-6,8-9,17H,3,7,10-15H2,1-2H3.
What are the key properties of N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide?
N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 1.49, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 71846458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).