N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide

C26H30N2O4S — CID 56969934

IUPACN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C26H30N2O4S/c1-6-20-9-11-21(12-10-20)26(29)27-23-13-14-24(28(4)33(5,30)31)25(16-23)32-17-22-15-18(2)7-8-19(22)3/h7-16H,6,17H2,1-5H3,(H,27,29)
InChIKeyOZLDZWQXCZSNBE-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.09
Rot. Bonds8

About N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide (PubChem CID 56969934) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide
PubChem CID56969934
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C26H30N2O4S/c1-6-20-9-11-21(12-10-20)26(29)27-23-13-14-24(28(4)33(5,30)31)25(16-23)32-17-22-15-18(2)7-8-19(22)3/h7-16H,6,17H2,1-5H3,(H,27,29)
InChIKeyOZLDZWQXCZSNBE-UHFFFAOYSA-N
XLogP5.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 56969936
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 56970146
N-[4-[methyl(methylsulfonyl)amino]-3-[(4-propan-2-ylphenyl)methoxy]phenyl]benzamide
CID 45483441
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[6-hydroxyhexyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 57385284
N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide
CID 57385283
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(4-ethoxyphenyl)benzamide
CID 53287885
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-2-pyridin-4-ylacetamide
CID 45483389
N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-[methyl(trifluoromethylsulfonyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 71747643
4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide?
The IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide (CID 56969934) is N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(N(C)S(C)(=O)=O)c(OCc3cc(C)ccc3C)c2)cc1.
What is the InChIKey of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide?
The InChIKey is OZLDZWQXCZSNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-6-20-9-11-21(12-10-20)26(29)27-23-13-14-24(28(4)33(5,30)31)25(16-23)32-17-22-15-18(2)7-8-19(22)3/h7-16H,6,17H2,1-5H3,(H,27,29).
What are the key properties of N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide?
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide has a molecular weight of 466.60 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide is sourced from PubChem (CID 56969934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).