3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide

C19H23F3N4O3S — CID 46426611

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc(C)c1C
InChIInChI=1S/C19H23F3N4O3S/c1-12-9-14(10-16(13(12)2)30(28,29)23-3)18(27)25-8-4-7-24-17-6-5-15(11-26-17)19(20,21)22/h5-6,9-11,23H,4,7-8H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyZJIWWSLBPSYLPV-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.86
Rot. Bonds8

About 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide (PubChem CID 46426611) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
PubChem CID46426611
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc(C)c1C
InChIInChI=1S/C19H23F3N4O3S/c1-12-9-14(10-16(13(12)2)30(28,29)23-3)18(27)25-8-4-7-24-17-6-5-15(11-26-17)19(20,21)22/h5-6,9-11,23H,4,7-8H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyZJIWWSLBPSYLPV-UHFFFAOYSA-N
XLogP2.86
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55617740
3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
CID 17476236
3-[methyl(propan-2-yl)sulfamoyl]-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
CID 46473392
3-bromo-4-ethoxy-5-methoxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
CID 46473548
2-(2-methylphenyl)-1,3-dioxo-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]isoindole-5-carboxamide
CID 46473145
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
N-(3-ethoxypropyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27680670
4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1-benzothiophene-2-carboxamide
CID 46427172
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]butanamide
CID 46426990
7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide
CID 46473817
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393
5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 55617719

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide (CID 46426611) is 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide is CNS(=O)(=O)c1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide?
The InChIKey is ZJIWWSLBPSYLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-12-9-14(10-16(13(12)2)30(28,29)23-3)18(27)25-8-4-7-24-17-6-5-15(11-26-17)19(20,21)22/h5-6,9-11,23H,4,7-8H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide has a molecular weight of 444.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide is sourced from PubChem (CID 46426611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).