N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C18H20N4O4S2 — CID 55382906

IUPACN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C18H20N4O4S2/c1-21(12-16(23)19-14-7-3-4-8-15(14)27-2)18(24)13-6-5-9-22-10-11-28(25,26)20-17(13)22/h3-9H,10-12H2,1-2H3,(H,19,23)
InChIKeyRSBQPNRRCFSPPA-UHFFFAOYSA-N
MW420.52 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55382906) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55382906
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC NameN-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C18H20N4O4S2/c1-21(12-16(23)19-14-7-3-4-8-15(14)27-2)18(24)13-6-5-9-22-10-11-28(25,26)20-17(13)22/h3-9H,10-12H2,1-2H3,(H,19,23)
InChIKeyRSBQPNRRCFSPPA-UHFFFAOYSA-N
XLogP1.30
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55383125
N-[2-(2-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78809016
N-[2-(difluoromethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777925
N-[2-(diethylamino)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78808676
N-(4-ethylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 9115367
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
4-acetamido-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417009
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863
N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 119640306

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55382906) is N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CSc1ccccc1NC(=O)CN(C)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is RSBQPNRRCFSPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-21(12-16(23)19-14-7-3-4-8-15(14)27-2)18(24)13-6-5-9-22-10-11-28(25,26)20-17(13)22/h3-9H,10-12H2,1-2H3,(H,19,23).
What are the key properties of N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55382906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).