N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide

C18H19N3O3S — CID 108515229

IUPACN-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-13(22)19-11-12-20-17(23)18(24)21-15-9-5-6-10-16(15)25-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyQLLCQODARQHVEA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.03
Rot. Bonds6

About N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide

N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108515229) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
PubChem CID108515229
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-13(22)19-11-12-20-17(23)18(24)21-15-9-5-6-10-16(15)25-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyQLLCQODARQHVEA-UHFFFAOYSA-N
XLogP2.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108506360
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
CID 47226224
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
CID 108515194
N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide
CID 108515113
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-[2-(4-fluorophenyl)sulfanylphenyl]acetamide
CID 58015270
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108509806

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide (CID 108515229) is N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide is CC(=O)NCCNC(=O)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is QLLCQODARQHVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13(22)19-11-12-20-17(23)18(24)21-15-9-5-6-10-16(15)25-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide?
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 357.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108515229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).