N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C25H25F3N2O4S — CID 4527529

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H25F3N2O4S/c1-4-30(5-2)35(32,33)19-14-15-23(34-3)22(16-19)29-24(31)21-9-7-6-8-20(21)17-10-12-18(13-11-17)25(26,27)28/h6-16H,4-5H2,1-3H3,(H,29,31)
InChIKeyJATXGYGXUSRQLP-UHFFFAOYSA-N
MW506.55 g/mol
LogP5.66
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 4527529) has the molecular formula C25H25F3N2O4S and a molecular weight of 506.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID4527529
Molecular FormulaC25H25F3N2O4S
Molecular Weight506.55 g/mol
Exact Mass506.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H25F3N2O4S/c1-4-30(5-2)35(32,33)19-14-15-23(34-3)22(16-19)29-24(31)21-9-7-6-8-20(21)17-10-12-18(13-11-17)25(26,27)28/h6-16H,4-5H2,1-3H3,(H,29,31)
InChIKeyJATXGYGXUSRQLP-UHFFFAOYSA-N
XLogP5.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 8838647
4-methoxy-N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzamide
CID 60537647
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 4152728
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 4527529) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JATXGYGXUSRQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O4S/c1-4-30(5-2)35(32,33)19-14-15-23(34-3)22(16-19)29-24(31)21-9-7-6-8-20(21)17-10-12-18(13-11-17)25(26,27)28/h6-16H,4-5H2,1-3H3,(H,29,31).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 506.55 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4527529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).