N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide

C19H19NO5S — CID 58434152

IUPACN,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2sc3ccccc3c(=O)c2c1)N(CCO)CCO
InChIInChI=1S/C19H19NO5S/c21-9-7-20(8-10-22)18(23)12-25-13-5-6-17-15(11-13)19(24)14-3-1-2-4-16(14)26-17/h1-6,11,21-22H,7-10,12H2
InChIKeyLNHYGSFZOGQLNI-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.61
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide

N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide (PubChem CID 58434152) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide
PubChem CID58434152
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC NameN,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2sc3ccccc3c(=O)c2c1)N(CCO)CCO
InChIInChI=1S/C19H19NO5S/c21-9-7-20(8-10-22)18(23)12-25-13-5-6-17-15(11-13)19(24)14-3-1-2-4-16(14)26-17/h1-6,11,21-22H,7-10,12H2
InChIKeyLNHYGSFZOGQLNI-UHFFFAOYSA-N
XLogP1.61
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethyl 2-(9-oxothioxanthen-2-yl)oxyacetate
CID 123638637
6-hydroxyhexyl 3-[butyl-[2-(9-oxothioxanthen-2-yl)oxyacetyl]amino]propanoate
CID 144801614
2-(3-hydroxypropoxy)thioxanthen-9-one
CID 143903572
2-ethoxythioxanthen-9-one
CID 14150410
2-(3-methoxy-3-methyl-2-oxobutoxy)thioxanthen-9-one
CID 143687369
3-(9-oxothioxanthen-2-yl)oxypropanoic acid
CID 67352192
2-(1-chloro-9-oxothioxanthen-4-yl)oxy-N,N-bis(2-hydroxyethyl)acetamide
CID 69083132
N-(2-hydroxyethyl)-2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethoxy]-N-methyl-9-oxothioxanthene-3-carboxamide
CID 177068580
N-[2-[methyl-[2-[2-[2-[methyl-[2-[[2-(9-oxothioxanthen-2-yl)oxyacetyl]amino]ethyl]amino]ethoxy]ethoxy]ethyl]amino]ethyl]-2-(9-oxothioxanthen-2-yl)oxyacetamide
CID 126487155
2-[3-[2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxyethoxy]-2,2-bis[2-[2-(9-oxothioxanthen-2-yl)oxyacetyl]oxyethoxymethyl]propoxy]ethyl 2-(9-oxothioxanthen-2-yl)oxyacetate
CID 59601977
(9-oxothioxanthen-2-yl) 2-bromoacetate
CID 118069117
2-[3-oxo-4-(9-oxothioxanthen-2-yl)oxybutan-2-yl]oxyethyl 2-(9-oxothioxanthen-2-yl)oxyacetate
CID 148664093

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide (CID 58434152) is N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide is O=C(COc1ccc2sc3ccccc3c(=O)c2c1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide?
The InChIKey is LNHYGSFZOGQLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c21-9-7-20(8-10-22)18(23)12-25-13-5-6-17-15(11-13)19(24)14-3-1-2-4-16(14)26-17/h1-6,11,21-22H,7-10,12H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide?
N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide has a molecular weight of 373.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-(9-oxothioxanthen-2-yl)oxyacetamide is sourced from PubChem (CID 58434152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).