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

C18H21N3O4S — CID 47083483

IUPACN-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1
InChIInChI=1S/C18H21N3O4S/c1-3-25-16-6-4-5-14(11-16)13(2)19-18(22)15-7-8-17-20-26(23,24)10-9-21(17)12-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyZWXRREMIXJRFLV-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.76
Rot. Bonds5

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

N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 47083483) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID47083483
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1
InChIInChI=1S/C18H21N3O4S/c1-3-25-16-6-4-5-14(11-16)13(2)19-18(22)15-7-8-17-20-26(23,24)10-9-21(17)12-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,19,22)
InChIKeyZWXRREMIXJRFLV-UHFFFAOYSA-N
XLogP1.76
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 47083483) is N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CCOc1cccc(C(C)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is ZWXRREMIXJRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-3-25-16-6-4-5-14(11-16)13(2)19-18(22)15-7-8-17-20-26(23,24)10-9-21(17)12-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 47083483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).