2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide

C20H20N2O3S — CID 164708363

IUPAC2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1
InChIInChI=1S/C20H20N2O3S/c1-20(2,3)19(25)21-11-17(23)22-12-8-9-16-14(10-12)18(24)13-6-4-5-7-15(13)26-16/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyUUJUABJVCIEHSN-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.52
Rot. Bonds3

About 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide (PubChem CID 164708363) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide
PubChem CID164708363
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1
InChIInChI=1S/C20H20N2O3S/c1-20(2,3)19(25)21-11-17(23)22-12-8-9-16-14(10-12)18(24)13-6-4-5-7-15(13)26-16/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyUUJUABJVCIEHSN-UHFFFAOYSA-N
XLogP3.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-(9-oxothioxanthen-2-yl)propanamide
CID 4918578
N-(9-oxothioxanthen-3-yl)acetamide
CID 139971728
[(9-oxothioxanthen-2-yl)amino] acetate
CID 175296260
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43358320
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43170102
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide (CID 164708363) is 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide?
The InChIKey is UUJUABJVCIEHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-20(2,3)19(25)21-11-17(23)22-12-8-9-16-14(10-12)18(24)13-6-4-5-7-15(13)26-16/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[(9-oxothioxanthen-2-yl)amino]ethyl]propanamide is sourced from PubChem (CID 164708363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).