N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide

C20H24N2O2S2 — CID 20974430

IUPACN-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
SMILESCc1ccccc1CNC(=O)CN1C(=O)CSc2sc(CC(C)C)cc21
InChIInChI=1S/C20H24N2O2S2/c1-13(2)8-16-9-17-20(26-16)25-12-19(24)22(17)11-18(23)21-10-15-7-5-4-6-14(15)3/h4-7,9,13H,8,10-12H2,1-3H3,(H,21,23)
InChIKeyCMKGMMPVXCHUFV-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.01
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide

N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide (PubChem CID 20974430) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
PubChem CID20974430
Molecular FormulaC20H24N2O2S2
Molecular Weight388.56 g/mol
Exact Mass388.13
IUPAC NameN-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
SMILESCc1ccccc1CNC(=O)CN1C(=O)CSc2sc(CC(C)C)cc21
InChIInChI=1S/C20H24N2O2S2/c1-13(2)8-16-9-17-20(26-16)25-12-19(24)22(17)11-18(23)21-10-15-7-5-4-6-14(15)3/h4-7,9,13H,8,10-12H2,1-3H3,(H,21,23)
InChIKeyCMKGMMPVXCHUFV-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 20974403
N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974420
N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974416
6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one
CID 20974409
2-(6-ethyl-2-oxothieno[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 20974369
N-[(2-chlorophenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 46387666
N-[(2-fluorophenyl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51195485
N-(4-methylphenyl)-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091021
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 46387705
N-[(5-bromothiophen-2-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32776574
2-[3-methyl-3-(4-methylphenyl)-2,5-dioxopyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 58418001

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide (CID 20974430) is N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide is Cc1ccccc1CNC(=O)CN1C(=O)CSc2sc(CC(C)C)cc21.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The InChIKey is CMKGMMPVXCHUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-13(2)8-16-9-17-20(26-16)25-12-19(24)22(17)11-18(23)21-10-15-7-5-4-6-14(15)3/h4-7,9,13H,8,10-12H2,1-3H3,(H,21,23).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide has a molecular weight of 388.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide is sourced from PubChem (CID 20974430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).