N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide

C17H16N2O4S — CID 171344317

IUPACN-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1NC(C)=O)S(=O)(=O)c1ccccc1C2
InChIInChI=1S/C17H16N2O4S/c1-10(20)18-14-8-13-7-12-5-3-4-6-16(12)24(22,23)17(13)9-15(14)19-11(2)21/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXYUGWKZSMKZCQN-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.34
Rot. Bonds2

About N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide

N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide (PubChem CID 171344317) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide
PubChem CID171344317
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1NC(C)=O)S(=O)(=O)c1ccccc1C2
InChIInChI=1S/C17H16N2O4S/c1-10(20)18-14-8-13-7-12-5-3-4-6-16(12)24(22,23)17(13)9-15(14)19-11(2)21/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXYUGWKZSMKZCQN-UHFFFAOYSA-N
XLogP2.34
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide?
The IUPAC name of N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide (CID 171344317) is N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide.
What is the SMILES notation for N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide?
The canonical SMILES for N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide is CC(=O)Nc1cc2c(cc1NC(C)=O)S(=O)(=O)c1ccccc1C2.
What is the InChIKey of N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide?
The InChIKey is XYUGWKZSMKZCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-10(20)18-14-8-13-7-12-5-3-4-6-16(12)24(22,23)17(13)9-15(14)19-11(2)21/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide?
N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-10,10-dioxo-9H-thioxanthen-2-yl)acetamide is sourced from PubChem (CID 171344317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).