N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide

C18H20N2O4S — CID 108509806

IUPACN',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C(=O)N(CCO)CCO
InChIInChI=1S/C18H20N2O4S/c21-12-10-20(11-13-22)18(24)17(23)19-15-8-4-5-9-16(15)25-14-6-2-1-3-7-14/h1-9,21-22H,10-13H2,(H,19,23)
InChIKeyUYUPXTSUXWOTFC-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.59
Rot. Bonds7

About N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide

N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108509806) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide
PubChem CID108509806
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)C(=O)N(CCO)CCO
InChIInChI=1S/C18H20N2O4S/c21-12-10-20(11-13-22)18(24)17(23)19-15-8-4-5-9-16(15)25-14-6-2-1-3-7-14/h1-9,21-22H,10-13H2,(H,19,23)
InChIKeyUYUPXTSUXWOTFC-UHFFFAOYSA-N
XLogP1.59
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
CID 108515194
N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide
CID 108515113
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-cyanophenyl)-N',N'-bis(2-hydroxyethyl)oxamide
CID 108501514
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
N-(2-chlorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121338
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide (CID 108509806) is N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide is O=C(Nc1ccccc1Sc1ccccc1)C(=O)N(CCO)CCO.
What is the InChIKey of N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is UYUPXTSUXWOTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-12-10-20(11-13-22)18(24)17(23)19-15-8-4-5-9-16(15)25-14-6-2-1-3-7-14/h1-9,21-22H,10-13H2,(H,19,23).
What are the key properties of N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide?
N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 360.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108509806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).