N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide

C15H15N3O5S — CID 90584146

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1
InChIInChI=1S/C15H15N3O5S/c1-23-13(10-6-7-24-9-10)8-16-14(19)15(20)17-11-4-2-3-5-12(11)18(21)22/h2-7,9,13H,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyJPIXTUCIMBMOJN-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.10
Rot. Bonds6

About N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide

N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide (PubChem CID 90584146) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
PubChem CID90584146
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1
InChIInChI=1S/C15H15N3O5S/c1-23-13(10-6-7-24-9-10)8-16-14(19)15(20)17-11-4-2-3-5-12(11)18(21)22/h2-7,9,13H,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyJPIXTUCIMBMOJN-UHFFFAOYSA-N
XLogP2.10
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414510
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 90598230
N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
CID 90584123
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 90598990
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 90584171
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide (CID 90584146) is N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide is COC(CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide?
The InChIKey is JPIXTUCIMBMOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-23-13(10-6-7-24-9-10)8-16-14(19)15(20)17-11-4-2-3-5-12(11)18(21)22/h2-7,9,13H,8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide has a molecular weight of 349.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide is sourced from PubChem (CID 90584146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).