2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide

C16H19N3O2S2 — CID 156570491

IUPAC2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(c3cccs3)NS(=O)N2C)c1
InChIInChI=1S/C16H19N3O2S2/c1-11-5-3-6-12(9-11)17-16(20)14-10-13(15-7-4-8-22-15)18-23(21)19(14)2/h3-9,13-14,18H,10H2,1-2H3,(H,17,20)
InChIKeyMJPUZMZFFAWHPF-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.61
Rot. Bonds3

About 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide

2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 156570491) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
PubChem CID156570491
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(c3cccs3)NS(=O)N2C)c1
InChIInChI=1S/C16H19N3O2S2/c1-11-5-3-6-12(9-11)17-16(20)14-10-13(15-7-4-8-22-15)18-23(21)19(14)2/h3-9,13-14,18H,10H2,1-2H3,(H,17,20)
InChIKeyMJPUZMZFFAWHPF-UHFFFAOYSA-N
XLogP2.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 156570501
(3R,5S)-N-(3-hydroxyphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 16670760
N-(3-chloro-4-fluorophenyl)-5-(5-fluorothiophen-2-yl)-2-methyl-1-oxo-1,2,6-thiadiazinane-3-carboxamide
CID 142420083
(3S,5R)-2-methyl-1,1-dioxo-5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2,6-thiadiazinane-3-carboxamide
CID 135316602
methane;2-methyl-1,1-dioxo-5-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,2,6-thiadiazinane-3-carboxamide
CID 159461225
(3R,5S)-N-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 16670767
(3R,5S)-N-(4-fluorophenyl)-2-methyl-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 142420063
5-(1,3-benzothiazol-5-yl)-N-(3-chloro-4-fluorophenyl)-2-methyl-1-oxo-1,2,6-thiadiazinane-3-carboxamide
CID 156570307
(3R,5S)-N-[4-(1-hydroxyethyl)phenyl]-2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 16670763
N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128705
N-(3-chloro-4-fluorophenyl)-6-(2-methoxyethyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide
CID 156570022
2-N,3-N-bis(3-methylphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 3104582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide (CID 156570491) is 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide is Cc1cccc(NC(=O)C2CC(c3cccs3)NS(=O)N2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is MJPUZMZFFAWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-11-5-3-6-12(9-11)17-16(20)14-10-13(15-7-4-8-22-15)18-23(21)19(14)2/h3-9,13-14,18H,10H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide?
2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 156570491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).