N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C16H16ClN3O3S — CID 9100713

IUPACN-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H16ClN3O3S/c17-13-5-3-12(4-6-13)7-8-18-16(21)14-2-1-9-20-10-11-24(22,23)19-15(14)20/h1-6,9H,7-8,10-11H2,(H,18,21)
InChIKeyRLRWBJWUPTZYIY-UHFFFAOYSA-N
MW365.84 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 9100713) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID9100713
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H16ClN3O3S/c17-13-5-3-12(4-6-13)7-8-18-16(21)14-2-1-9-20-10-11-24(22,23)19-15(14)20/h1-6,9H,7-8,10-11H2,(H,18,21)
InChIKeyRLRWBJWUPTZYIY-UHFFFAOYSA-N
XLogP1.50
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 9100713) is N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is RLRWBJWUPTZYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-13-5-3-12(4-6-13)7-8-18-16(21)14-2-1-9-20-10-11-24(22,23)19-15(14)20/h1-6,9H,7-8,10-11H2,(H,18,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 365.84 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 9100713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).