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

C25H29N3O6S2 — CID 10907557

IUPACN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H29N3O6S2/c1-35(30,31)26-22-10-8-20(9-11-22)16-17-28(25(29)21-6-4-3-5-7-21)18-19-34-24-14-12-23(13-15-24)27-36(2,32)33/h3-15,26-27H,16-19H2,1-2H3
InChIKeyQUGZPYQHLGMTFR-UHFFFAOYSA-N
MW531.66 g/mol
LogP3.19
Rot. Bonds12

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

N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide (PubChem CID 10907557) has the molecular formula C25H29N3O6S2 and a molecular weight of 531.66 g/mol. Its IUPAC name is N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide
PubChem CID10907557
Molecular FormulaC25H29N3O6S2
Molecular Weight531.66 g/mol
Exact Mass531.15
IUPAC NameN-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H29N3O6S2/c1-35(30,31)26-22-10-8-20(9-11-22)16-17-28(25(29)21-6-4-3-5-7-21)18-19-34-24-14-12-23(13-15-24)27-36(2,32)33/h3-15,26-27H,16-19H2,1-2H3
InChIKeyQUGZPYQHLGMTFR-UHFFFAOYSA-N
XLogP3.19
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.66
LogP ≤ 53.19
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]benzamide?
The IUPAC name of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide (CID 10907557) is N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide is CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide?
The InChIKey is QUGZPYQHLGMTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S2/c1-35(30,31)26-22-10-8-20(9-11-22)16-17-28(25(29)21-6-4-3-5-7-21)18-19-34-24-14-12-23(13-15-24)27-36(2,32)33/h3-15,26-27H,16-19H2,1-2H3.
What are the key properties of N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide?
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-N-[2-[4-(methanesulfonamido)phenyl]ethyl]benzamide has a molecular weight of 531.66 g/mol, XLogP of 3.19, 12 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]benzamide is sourced from PubChem (CID 10907557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).