N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide

C20H27N3O6S2 — CID 10073399

IUPACN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide
SMILESCC(=O)N(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H27N3O6S2/c1-16(24)23(13-12-17-4-6-18(7-5-17)21-30(2,25)26)14-15-29-20-10-8-19(9-11-20)22-31(3,27)28/h4-11,21-22H,12-15H2,1-3H3
InChIKeyFSIOPUXWPKHEJC-UHFFFAOYSA-N
MW469.59 g/mol
LogP1.90
Rot. Bonds11

About N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide

N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide (PubChem CID 10073399) has the molecular formula C20H27N3O6S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide
PubChem CID10073399
Molecular FormulaC20H27N3O6S2
Molecular Weight469.59 g/mol
Exact Mass469.13
IUPAC NameN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide
SMILESCC(=O)N(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H27N3O6S2/c1-16(24)23(13-12-17-4-6-18(7-5-17)21-30(2,25)26)14-15-29-20-10-8-19(9-11-20)22-31(3,27)28/h4-11,21-22H,12-15H2,1-3H3
InChIKeyFSIOPUXWPKHEJC-UHFFFAOYSA-N
XLogP1.90
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide (CID 10073399) is N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide is CC(=O)N(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide?
The InChIKey is FSIOPUXWPKHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S2/c1-16(24)23(13-12-17-4-6-18(7-5-17)21-30(2,25)26)14-15-29-20-10-8-19(9-11-20)22-31(3,27)28/h4-11,21-22H,12-15H2,1-3H3.
What are the key properties of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide?
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide has a molecular weight of 469.59 g/mol, XLogP of 1.90, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]acetamide is sourced from PubChem (CID 10073399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).