N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C20H24F3N3O3S — CID 134000118

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1
InChIInChI=1S/C20H24F3N3O3S/c1-13(2)26(5)30(28,29)16-9-6-14(7-10-16)19(27)24-17-12-15(20(21,22)23)8-11-18(17)25(3)4/h6-13H,1-5H3,(H,24,27)
InChIKeyCDJLKSWWPDYXAC-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.05
Rot. Bonds6

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 134000118) has the molecular formula C20H24F3N3O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID134000118
Molecular FormulaC20H24F3N3O3S
Molecular Weight443.49 g/mol
Exact Mass443.15
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1
InChIInChI=1S/C20H24F3N3O3S/c1-13(2)26(5)30(28,29)16-9-6-14(7-10-16)19(27)24-17-12-15(20(21,22)23)8-11-18(17)25(3)4/h6-13H,1-5H3,(H,24,27)
InChIKeyCDJLKSWWPDYXAC-UHFFFAOYSA-N
XLogP4.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 31894215
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 51152139
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314705
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 71881491
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 38923929
4-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 26181661
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314975
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 39393327
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 134000118) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is CDJLKSWWPDYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3S/c1-13(2)26(5)30(28,29)16-9-6-14(7-10-16)19(27)24-17-12-15(20(21,22)23)8-11-18(17)25(3)4/h6-13H,1-5H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 443.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 134000118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).