N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C19H19F3N4O4S — CID 27833804

IUPACN-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C19H19F3N4O4S/c1-2-25(12-17(27)23-15-6-4-3-5-14(15)19(20,21)22)18(28)13-7-8-16-24-31(29,30)10-9-26(16)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,23,27)
InChIKeyXABKDFFHDTXHFE-UHFFFAOYSA-N
MW456.45 g/mol
LogP1.99
Rot. Bonds5

About N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 27833804) has the molecular formula C19H19F3N4O4S and a molecular weight of 456.45 g/mol. Its IUPAC name is N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID27833804
Molecular FormulaC19H19F3N4O4S
Molecular Weight456.45 g/mol
Exact Mass456.11
IUPAC NameN-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C19H19F3N4O4S/c1-2-25(12-17(27)23-15-6-4-3-5-14(15)19(20,21)22)18(28)13-7-8-16-24-31(29,30)10-9-26(16)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,23,27)
InChIKeyXABKDFFHDTXHFE-UHFFFAOYSA-N
XLogP1.99
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 27833804) is N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is XABKDFFHDTXHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4S/c1-2-25(12-17(27)23-15-6-4-3-5-14(15)19(20,21)22)18(28)13-7-8-16-24-31(29,30)10-9-26(16)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,23,27).
What are the key properties of N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 27833804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).