N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide

C28H28N2O4S — CID 10939880

IUPACN-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(CCN(CCOc2cccc3ccccc23)C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H28N2O4S/c1-35(32,33)29-25-16-14-22(15-17-25)18-19-30(28(31)24-9-3-2-4-10-24)20-21-34-27-13-7-11-23-8-5-6-12-26(23)27/h2-17,29H,18-21H2,1H3
InChIKeyOEKUIQNJBQLFNW-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.98
Rot. Bonds10

About N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide

N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide (PubChem CID 10939880) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide
PubChem CID10939880
Molecular FormulaC28H28N2O4S
Molecular Weight488.61 g/mol
Exact Mass488.18
IUPAC NameN-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(CCN(CCOc2cccc3ccccc23)C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H28N2O4S/c1-35(32,33)29-25-16-14-22(15-17-25)18-19-30(28(31)24-9-3-2-4-10-24)20-21-34-27-13-7-11-23-8-5-6-12-26(23)27/h2-17,29H,18-21H2,1H3
InChIKeyOEKUIQNJBQLFNW-UHFFFAOYSA-N
XLogP4.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide?
The IUPAC name of N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide (CID 10939880) is N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide.
What is the SMILES notation for N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide?
The canonical SMILES for N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide is CS(=O)(=O)Nc1ccc(CCN(CCOc2cccc3ccccc23)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide?
The InChIKey is OEKUIQNJBQLFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-35(32,33)29-25-16-14-22(15-17-25)18-19-30(28(31)24-9-3-2-4-10-24)20-21-34-27-13-7-11-23-8-5-6-12-26(23)27/h2-17,29H,18-21H2,1H3.
What are the key properties of N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide?
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide has a molecular weight of 488.61 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-(2-naphthalen-1-yloxyethyl)benzamide is sourced from PubChem (CID 10939880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).