2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide

C19H16N2O3S2 — CID 20944781

IUPAC2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)NCc1cccs1
InChIInChI=1S/C19H16N2O3S2/c22-19(20-12-14-6-5-11-25-14)13-21-15-7-1-3-9-17(15)26(23,24)18-10-4-2-8-16(18)21/h1-11H,12-13H2,(H,20,22)
InChIKeySBDOWTVHRSZWJR-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.35
Rot. Bonds4

About 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 20944781) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID20944781
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC Name2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)NCc1cccs1
InChIInChI=1S/C19H16N2O3S2/c22-19(20-12-14-6-5-11-25-14)13-21-15-7-1-3-9-17(15)26(23,24)18-10-4-2-8-16(18)21/h1-11H,12-13H2,(H,20,22)
InChIKeySBDOWTVHRSZWJR-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 2117280
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42898325
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 804447
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51191007
methyl 2-[2-oxo-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5H-1,5-benzodiazepin-4-yl]acetate
CID 53060941

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 20944781) is 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)NCc1cccs1.
What is the InChIKey of 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SBDOWTVHRSZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c22-19(20-12-14-6-5-11-25-14)13-21-15-7-1-3-9-17(15)26(23,24)18-10-4-2-8-16(18)21/h1-11H,12-13H2,(H,20,22).
What are the key properties of 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxophenothiazin-10-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 20944781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).