N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C21H25F3N2O3S — CID 27832563

IUPACN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H25F3N2O3S/c1-5-26(6-2)30(28,29)18-10-14(3)15(4)19(13-18)25-20(27)12-16-8-7-9-17(11-16)21(22,23)24/h7-11,13H,5-6,12H2,1-4H3,(H,25,27)
InChIKeyJTOPBYYSWOMQGD-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.53
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 27832563) has the molecular formula C21H25F3N2O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID27832563
Molecular FormulaC21H25F3N2O3S
Molecular Weight442.50 g/mol
Exact Mass442.15
IUPAC NameN-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H25F3N2O3S/c1-5-26(6-2)30(28,29)18-10-14(3)15(4)19(13-18)25-20(27)12-16-8-7-9-17(11-16)21(22,23)24/h7-11,13H,5-6,12H2,1-4H3,(H,25,27)
InChIKeyJTOPBYYSWOMQGD-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 27832732
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 86933475
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2119470
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8759670
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119440376
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 16564298

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 27832563) is N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JTOPBYYSWOMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O3S/c1-5-26(6-2)30(28,29)18-10-14(3)15(4)19(13-18)25-20(27)12-16-8-7-9-17(11-16)21(22,23)24/h7-11,13H,5-6,12H2,1-4H3,(H,25,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 27832563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).