N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C18H19FN4O4S — CID 30755038

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1F
InChIInChI=1S/C18H19FN4O4S/c1-12-2-3-13(10-15(12)19)17(24)20-6-7-21-18(25)14-4-5-16-22-28(26,27)9-8-23(16)11-14/h2-5,10-11H,6-9H2,1H3,(H,20,24)(H,21,25)
InChIKeyDZTWPAGWMXBJIO-UHFFFAOYSA-N
MW406.44 g/mol
LogP0.48
Rot. Bonds5

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 30755038) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID30755038
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1F
InChIInChI=1S/C18H19FN4O4S/c1-12-2-3-13(10-15(12)19)17(24)20-6-7-21-18(25)14-4-5-16-22-28(26,27)9-8-23(16)11-14/h2-5,10-11H,6-9H2,1H3,(H,20,24)(H,21,25)
InChIKeyDZTWPAGWMXBJIO-UHFFFAOYSA-N
XLogP0.48
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 30755038) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is Cc1ccc(C(=O)NCCNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is DZTWPAGWMXBJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c1-12-2-3-13(10-15(12)19)17(24)20-6-7-21-18(25)14-4-5-16-22-28(26,27)9-8-23(16)11-14/h2-5,10-11H,6-9H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 30755038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).