2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C20H23F3N4O4S — CID 4852464

IUPAC2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N4O4S/c1-27(13-19(29)26-17-5-3-2-4-16(17)20(21,22)23)12-18(28)25-11-10-14-6-8-15(9-7-14)32(24,30)31/h2-9H,10-13H2,1H3,(H,25,28)(H,26,29)(H2,24,30,31)
InChIKeyDBYCYLDGGGDDGD-UHFFFAOYSA-N
MW472.49 g/mol
LogP1.58
Rot. Bonds9

About 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 4852464) has the molecular formula C20H23F3N4O4S and a molecular weight of 472.49 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID4852464
Molecular FormulaC20H23F3N4O4S
Molecular Weight472.49 g/mol
Exact Mass472.14
IUPAC Name2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N4O4S/c1-27(13-19(29)26-17-5-3-2-4-16(17)20(21,22)23)12-18(28)25-11-10-14-6-8-15(9-7-14)32(24,30)31/h2-9H,10-13H2,1H3,(H,25,28)(H,26,29)(H2,24,30,31)
InChIKeyDBYCYLDGGGDDGD-UHFFFAOYSA-N
XLogP1.58
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 4852464) is 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is DBYCYLDGGGDDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4S/c1-27(13-19(29)26-17-5-3-2-4-16(17)20(21,22)23)12-18(28)25-11-10-14-6-8-15(9-7-14)32(24,30)31/h2-9H,10-13H2,1H3,(H,25,28)(H,26,29)(H2,24,30,31).
What are the key properties of 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 472.49 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 4852464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).