4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

C19H23F3N4O4S — CID 55932878

IUPAC4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H23F3N4O4S/c1-12(2)26-31(28,29)16-11-13(6-7-15(16)30-3)18(27)25-10-9-24-17-14(19(20,21)22)5-4-8-23-17/h4-8,11-12,26H,9-10H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyQZGSLSJMYUUDGF-UHFFFAOYSA-N
MW460.48 g/mol
LogP2.64
Rot. Bonds9

About 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (PubChem CID 55932878) has the molecular formula C19H23F3N4O4S and a molecular weight of 460.48 g/mol. Its IUPAC name is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
PubChem CID55932878
Molecular FormulaC19H23F3N4O4S
Molecular Weight460.48 g/mol
Exact Mass460.14
IUPAC Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H23F3N4O4S/c1-12(2)26-31(28,29)16-11-13(6-7-15(16)30-3)18(27)25-10-9-24-17-14(19(20,21)22)5-4-8-23-17/h4-8,11-12,26H,9-10H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyQZGSLSJMYUUDGF-UHFFFAOYSA-N
XLogP2.64
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55969923
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373535
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 24623168
3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55933893
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645477
4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 46466460
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide
CID 86859159
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
3-(ethylsulfamoyl)-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 45373661

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (CID 55932878) is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is COc1ccc(C(=O)NCCNc2ncccc2C(F)(F)F)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The InChIKey is QZGSLSJMYUUDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O4S/c1-12(2)26-31(28,29)16-11-13(6-7-15(16)30-3)18(27)25-10-9-24-17-14(19(20,21)22)5-4-8-23-17/h4-8,11-12,26H,9-10H2,1-3H3,(H,23,24)(H,25,27).
What are the key properties of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide has a molecular weight of 460.48 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is sourced from PubChem (CID 55932878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).