N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide

C26H29N3O5S — CID 39967087

IUPACN-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-18-6-9-20(10-7-18)26(31)29(5)21-11-13-22(14-12-21)34-17-25(30)27-24-16-23(15-8-19(24)2)35(32,33)28(3)4/h6-16H,17H2,1-5H3,(H,27,30)
InChIKeyRESOXYZAEORGES-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.85
Rot. Bonds8

About N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide

N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide (PubChem CID 39967087) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
PubChem CID39967087
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-18-6-9-20(10-7-18)26(31)29(5)21-11-13-22(14-12-21)34-17-25(30)27-24-16-23(15-8-19(24)2)35(32,33)28(3)4/h6-16H,17H2,1-5H3,(H,27,30)
InChIKeyRESOXYZAEORGES-UHFFFAOYSA-N
XLogP3.85
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7929166
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
N,4-dimethyl-N-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 23905666
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16503896
2-(2-acetylphenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7859322
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N-(2,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793156

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide?
The IUPAC name of N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide (CID 39967087) is N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide?
The canonical SMILES for N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cc1.
What is the InChIKey of N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide?
The InChIKey is RESOXYZAEORGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-18-6-9-20(10-7-18)26(31)29(5)21-11-13-22(14-12-21)34-17-25(30)27-24-16-23(15-8-19(24)2)35(32,33)28(3)4/h6-16H,17H2,1-5H3,(H,27,30).
What are the key properties of N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide?
N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide has a molecular weight of 495.60 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 39967087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).