2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide

C22H18N2O2S2 — CID 1021302

IUPAC2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)N1c2ccccc2Sc2ccccc21)Nc1ccccc1
InChIInChI=1S/C22H18N2O2S2/c25-21(23-16-8-2-1-3-9-16)14-27-15-22(26)24-17-10-4-6-12-19(17)28-20-13-7-5-11-18(20)24/h1-13H,14-15H2,(H,23,25)
InChIKeyXNPNTHDNSXZGIW-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.19
Rot. Bonds5

About 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide

2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide (PubChem CID 1021302) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide
PubChem CID1021302
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC Name2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)N1c2ccccc2Sc2ccccc21)Nc1ccccc1
InChIInChI=1S/C22H18N2O2S2/c25-21(23-16-8-2-1-3-9-16)14-27-15-22(26)24-17-10-4-6-12-19(17)28-20-13-7-5-11-18(20)24/h1-13H,14-15H2,(H,23,25)
InChIKeyXNPNTHDNSXZGIW-UHFFFAOYSA-N
XLogP5.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide (CID 1021302) is 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide is O=C(CSCC(=O)N1c2ccccc2Sc2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide?
The InChIKey is XNPNTHDNSXZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S2/c25-21(23-16-8-2-1-3-9-16)14-27-15-22(26)24-17-10-4-6-12-19(17)28-20-13-7-5-11-18(20)24/h1-13H,14-15H2,(H,23,25).
What are the key properties of 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide?
2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide has a molecular weight of 406.53 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 1021302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).