N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C24H23F2N3O3S — CID 60581078

IUPACN-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCC(c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C24H23F2N3O3S/c1-2-22(18-6-9-20(25)10-7-18)29(15-17-4-3-5-21(26)14-17)24(30)19-8-11-23-27-33(31,32)13-12-28(23)16-19/h3-11,14,16,22H,2,12-13,15H2,1H3
InChIKeyOCQGAPDSJNDRDN-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.94
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 60581078) has the molecular formula C24H23F2N3O3S and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID60581078
Molecular FormulaC24H23F2N3O3S
Molecular Weight471.53 g/mol
Exact Mass471.14
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCC(c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C24H23F2N3O3S/c1-2-22(18-6-9-20(25)10-7-18)29(15-17-4-3-5-21(26)14-17)24(30)19-8-11-23-27-33(31,32)13-12-28(23)16-19/h3-11,14,16,22H,2,12-13,15H2,1H3
InChIKeyOCQGAPDSJNDRDN-UHFFFAOYSA-N
XLogP3.94
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 60581078) is N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CCC(c1ccc(F)cc1)N(Cc1cccc(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is OCQGAPDSJNDRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3S/c1-2-22(18-6-9-20(25)10-7-18)29(15-17-4-3-5-21(26)14-17)24(30)19-8-11-23-27-33(31,32)13-12-28(23)16-19/h3-11,14,16,22H,2,12-13,15H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[1-(4-fluorophenyl)propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 60581078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).