N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide

C24H24N2O2S — CID 108515211

IUPACN-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-24(2,3)18-13-7-8-14-19(18)25-22(27)23(28)26-20-15-9-10-16-21(20)29-17-11-5-4-6-12-17/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyXEMZLCNUEMELGD-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.71
Rot. Bonds4

About N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide

N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108515211) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
PubChem CID108515211
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C24H24N2O2S/c1-24(2,3)18-13-7-8-14-19(18)25-22(27)23(28)26-20-15-9-10-16-21(20)29-17-11-5-4-6-12-17/h4-16H,1-3H3,(H,25,27)(H,26,28)
InChIKeyXEMZLCNUEMELGD-UHFFFAOYSA-N
XLogP5.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
tert-butyl N-(2-phenylsulfanylphenyl)carbamate
CID 12668805
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
N-(3-methoxypropyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108506360
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide
CID 108515113
N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
CID 108515194
N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108515122
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide (CID 108515211) is N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide is CC(C)(C)c1ccccc1NC(=O)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is XEMZLCNUEMELGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-24(2,3)18-13-7-8-14-19(18)25-22(27)23(28)26-20-15-9-10-16-21(20)29-17-11-5-4-6-12-17/h4-16H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 404.54 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108515211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).