2-acetyl-N-phenylphenothiazine-10-carboxamide

C21H16N2O2S — CID 4153875

IUPAC2-acetyl-N-phenylphenothiazine-10-carboxamide
SMILESCC(=O)c1ccc2c(c1)N(C(=O)Nc1ccccc1)c1ccccc1S2
InChIInChI=1S/C21H16N2O2S/c1-14(24)15-11-12-20-18(13-15)23(17-9-5-6-10-19(17)26-20)21(25)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25)
InChIKeyIWIJYKPXBYUAIR-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.72
Rot. Bonds2

About 2-acetyl-N-phenylphenothiazine-10-carboxamide

2-acetyl-N-phenylphenothiazine-10-carboxamide (PubChem CID 4153875) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-acetyl-N-phenylphenothiazine-10-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-phenylphenothiazine-10-carboxamide
PubChem CID4153875
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name2-acetyl-N-phenylphenothiazine-10-carboxamide
SMILESCC(=O)c1ccc2c(c1)N(C(=O)Nc1ccccc1)c1ccccc1S2
InChIInChI=1S/C21H16N2O2S/c1-14(24)15-11-12-20-18(13-15)23(17-9-5-6-10-19(17)26-20)21(25)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25)
InChIKeyIWIJYKPXBYUAIR-UHFFFAOYSA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
CID 3709693
N-[3-(methoxymethyl)phenyl]phenothiazine-10-carboxamide
CID 56923247
N-(3-chlorophenyl)-2-(trifluoromethyl)phenothiazine-10-carboxamide
CID 27184279
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone
CID 10047477
methyl 4-[(E)-[[2-(2-acetylphenothiazin-10-yl)-2-oxoethyl]hydrazinylidene]methyl]benzoate
CID 24835018
4-(2-chlorophenothiazin-10-yl)-4-oxo-N-phenylbutanamide
CID 102095506
ethyl 2-chloro-4-(phenothiazine-10-carbonylamino)benzoate
CID 28572191
N-(2-chlorophenyl)phenothiazine-10-carboxamide
CID 19916612
N-[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]phenothiazine-10-carboxamide
CID 135544715
N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]phenothiazine-10-carboxamide
CID 46090676
1-(4-phenothiazin-10-ylphenyl)ethanone
CID 86206499

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-phenylphenothiazine-10-carboxamide?
The IUPAC name of 2-acetyl-N-phenylphenothiazine-10-carboxamide (CID 4153875) is 2-acetyl-N-phenylphenothiazine-10-carboxamide.
What is the SMILES notation for 2-acetyl-N-phenylphenothiazine-10-carboxamide?
The canonical SMILES for 2-acetyl-N-phenylphenothiazine-10-carboxamide is CC(=O)c1ccc2c(c1)N(C(=O)Nc1ccccc1)c1ccccc1S2.
What is the InChIKey of 2-acetyl-N-phenylphenothiazine-10-carboxamide?
The InChIKey is IWIJYKPXBYUAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-14(24)15-11-12-20-18(13-15)23(17-9-5-6-10-19(17)26-20)21(25)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,22,25).
What are the key properties of 2-acetyl-N-phenylphenothiazine-10-carboxamide?
2-acetyl-N-phenylphenothiazine-10-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-phenylphenothiazine-10-carboxamide is sourced from PubChem (CID 4153875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).