5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide

C30H40N2O7S — CID 69116507

IUPAC5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
SMILESCCOc1ccccc1OCCN(CCOc1ccccc1OCC)C(C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C30H40N2O7S/c1-5-36-25-11-7-9-13-27(25)38-19-17-32(18-20-39-28-14-10-8-12-26(28)37-6-2)23(3)21-24-15-16-29(35-4)30(22-24)40(31,33)34/h7-16,22-23H,5-6,17-21H2,1-4H3,(H2,31,33,34)
InChIKeyOTXBFJHUSODSBC-UHFFFAOYSA-N
MW572.72 g/mol
LogP4.53
Rot. Bonds17

About 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide

5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide (PubChem CID 69116507) has the molecular formula C30H40N2O7S and a molecular weight of 572.72 g/mol. Its IUPAC name is 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
PubChem CID69116507
Molecular FormulaC30H40N2O7S
Molecular Weight572.72 g/mol
Exact Mass572.26
IUPAC Name5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide
SMILESCCOc1ccccc1OCCN(CCOc1ccccc1OCC)C(C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C30H40N2O7S/c1-5-36-25-11-7-9-13-27(25)38-19-17-32(18-20-39-28-14-10-8-12-26(28)37-6-2)23(3)21-24-15-16-29(35-4)30(22-24)40(31,33)34/h7-16,22-23H,5-6,17-21H2,1-4H3,(H2,31,33,34)
InChIKeyOTXBFJHUSODSBC-UHFFFAOYSA-N
XLogP4.53
TPSA109.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.72
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide (CID 69116507) is 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide is CCOc1ccccc1OCCN(CCOc1ccccc1OCC)C(C)Cc1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide?
The InChIKey is OTXBFJHUSODSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O7S/c1-5-36-25-11-7-9-13-27(25)38-19-17-32(18-20-39-28-14-10-8-12-26(28)37-6-2)23(3)21-24-15-16-29(35-4)30(22-24)40(31,33)34/h7-16,22-23H,5-6,17-21H2,1-4H3,(H2,31,33,34).
What are the key properties of 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide?
5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide has a molecular weight of 572.72 g/mol, XLogP of 4.53, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[bis[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 69116507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).