N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide

C20H15N3O4S — CID 108513105

IUPACN-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H15N3O4S/c24-19(21-14-10-12-15(13-11-14)23(26)27)20(25)22-17-8-4-5-9-18(17)28-16-6-2-1-3-7-16/h1-13H,(H,21,24)(H,22,25)
InChIKeySXMXYRZTSLKFBN-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.32
Rot. Bonds5

About N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide

N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108513105) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
PubChem CID108513105
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC NameN-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H15N3O4S/c24-19(21-14-10-12-15(13-11-14)23(26)27)20(25)22-17-8-4-5-9-18(17)28-16-6-2-1-3-7-16/h1-13H,(H,21,24)(H,22,25)
InChIKeySXMXYRZTSLKFBN-UHFFFAOYSA-N
XLogP4.32
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
1-(2-chlorophenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea
CID 18431132
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
1-(2,5-difluorophenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea
CID 18431163
1-(2-methylsulfanylphenyl)-3-(4-nitrophenyl)thiourea
CID 2956868
2-anilino-N-(4-nitrophenyl)-2-sulfanylideneacetamide
CID 17385609
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide (CID 108513105) is N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is SXMXYRZTSLKFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c24-19(21-14-10-12-15(13-11-14)23(26)27)20(25)22-17-8-4-5-9-18(17)28-16-6-2-1-3-7-16/h1-13H,(H,21,24)(H,22,25).
What are the key properties of N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 393.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108513105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).