N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide

C14H11N3O2S — CID 91650907

IUPACN-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide
SMILESCc1cscc1NC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H11N3O2S/c1-9-7-20-8-12(9)17-14(19)13(18)16-11-4-2-10(6-15)3-5-11/h2-5,7-8H,1H3,(H,16,18)(H,17,19)
InChIKeyNPFRIPZWMOEDLK-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.51
Rot. Bonds2

About N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide

N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide (PubChem CID 91650907) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide
PubChem CID91650907
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide
SMILESCc1cscc1NC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H11N3O2S/c1-9-7-20-8-12(9)17-14(19)13(18)16-11-4-2-10(6-15)3-5-11/h2-5,7-8H,1H3,(H,16,18)(H,17,19)
InChIKeyNPFRIPZWMOEDLK-UHFFFAOYSA-N
XLogP2.51
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416
N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108519420
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N'-(2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108500274
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483
N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
CID 142912025
N'-(4-amino-2-chlorophenyl)-N-(4-cyanophenyl)oxamide
CID 108515972
N-(4-cyanophenyl)prop-2-ynamide
CID 131045774
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108519444

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide (CID 91650907) is N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide is Cc1cscc1NC(=O)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide?
The InChIKey is NPFRIPZWMOEDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-7-20-8-12(9)17-14(19)13(18)16-11-4-2-10(6-15)3-5-11/h2-5,7-8H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide?
N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide has a molecular weight of 285.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide is sourced from PubChem (CID 91650907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).