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

C16H24N2O2S2 — CID 20974420

IUPACN-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1C(=O)CSc2sc(CC(C)C)cc21
InChIInChI=1S/C16H24N2O2S2/c1-4-5-6-17-14(19)9-18-13-8-12(7-11(2)3)22-16(13)21-10-15(18)20/h8,11H,4-7,9-10H2,1-3H3,(H,17,19)
InChIKeyDANBAHSEMWLXRP-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.30
Rot. Bonds7

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

N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide (PubChem CID 20974420) has the molecular formula C16H24N2O2S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
PubChem CID20974420
Molecular FormulaC16H24N2O2S2
Molecular Weight340.51 g/mol
Exact Mass340.13
IUPAC NameN-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1C(=O)CSc2sc(CC(C)C)cc21
InChIInChI=1S/C16H24N2O2S2/c1-4-5-6-17-14(19)9-18-13-8-12(7-11(2)3)22-16(13)21-10-15(18)20/h8,11H,4-7,9-10H2,1-3H3,(H,17,19)
InChIKeyDANBAHSEMWLXRP-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974430
2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 20974403
6-(2-methylpropyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[2,3-b][1,4]thiazin-2-one
CID 20974409
N-(1-benzylpiperidin-4-yl)-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 20974416
2-(6-ethyl-2-oxothieno[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 20974369
2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46387681
N-[3-(2-methylpropoxy)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51218542
N-[(4-butoxyphenyl)methyl]-2-[6-(dimethylsulfamoyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide
CID 46387706
N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119430219
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
CID 18162798
2-[6-(dipropylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-heptylacetamide
CID 46372472
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide (CID 20974420) is N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide is CCCCNC(=O)CN1C(=O)CSc2sc(CC(C)C)cc21.
What is the InChIKey of N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
The InChIKey is DANBAHSEMWLXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S2/c1-4-5-6-17-14(19)9-18-13-8-12(7-11(2)3)22-16(13)21-10-15(18)20/h8,11H,4-7,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide?
N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide has a molecular weight of 340.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6-(2-methylpropyl)-2-oxothieno[2,3-b][1,4]thiazin-1-yl]acetamide is sourced from PubChem (CID 20974420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).