1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone

C19H16N2O4S — CID 66507488

IUPAC1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone
SMILESO=C(CNCc1ccco1)N1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C19H16N2O4S/c22-19(13-20-12-14-6-5-11-25-14)21-15-7-1-3-9-17(15)26(23,24)18-10-4-2-8-16(18)21/h1-11,20H,12-13H2
InChIKeyGTUSMTZRDDNXCJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.88
Rot. Bonds4

About 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone

1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone (PubChem CID 66507488) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone
PubChem CID66507488
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone
SMILESO=C(CNCc1ccco1)N1c2ccccc2S(=O)(=O)c2ccccc21
InChIInChI=1S/C19H16N2O4S/c22-19(13-20-12-14-6-5-11-25-14)21-15-7-1-3-9-17(15)26(23,24)18-10-4-2-8-16(18)21/h1-11,20H,12-13H2
InChIKeyGTUSMTZRDDNXCJ-UHFFFAOYSA-N
XLogP2.88
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-ylmethylamino)-1-phenothiazin-10-ylethanone;hydrochloride
CID 2936524
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
CID 6602692
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925
N-[2-(dimethylamino)ethyl]-2-(furan-2-ylmethylamino)acetamide
CID 108994576
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
N-(furan-2-ylmethyl)acetamide
CID 2394850
2-(furan-2-ylmethylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54818572

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone?
The IUPAC name of 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone (CID 66507488) is 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone.
What is the SMILES notation for 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone?
The canonical SMILES for 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone is O=C(CNCc1ccco1)N1c2ccccc2S(=O)(=O)c2ccccc21.
What is the InChIKey of 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone?
The InChIKey is GTUSMTZRDDNXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-19(13-20-12-14-6-5-11-25-14)21-15-7-1-3-9-17(15)26(23,24)18-10-4-2-8-16(18)21/h1-11,20H,12-13H2.
What are the key properties of 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone?
1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone has a molecular weight of 368.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dioxophenothiazin-10-yl)-2-(furan-2-ylmethylamino)ethanone is sourced from PubChem (CID 66507488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).