N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide

C14H13N3O5S — CID 139833853

IUPACN'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCc2cccs2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O5S/c1-22-11-6-9(5-10(7-11)17(20)21)16-14(19)13(18)15-8-12-3-2-4-23-12/h2-7H,8H2,1H3,(H,15,18)(H,16,19)
InChIKeySTZHRGWNOJRUSR-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.92
Rot. Bonds5

About N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide

N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 139833853) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID139833853
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC NameN'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)NCc2cccs2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N3O5S/c1-22-11-6-9(5-10(7-11)17(20)21)16-14(19)13(18)15-8-12-3-2-4-23-12/h2-7H,8H2,1H3,(H,15,18)(H,16,19)
InChIKeySTZHRGWNOJRUSR-UHFFFAOYSA-N
XLogP1.92
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.92
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'}

Analyze N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-nitro-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833851
N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833835
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
N-[(3-methoxy-5-nitrophenyl)methyl]-2-thiophen-2-ylethanamine
CID 81150404
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
CID 2889588
N'-(3-methoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]oxamide
CID 121131867
N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97257633
N-[2-(3-methoxy-5-nitroanilino)ethyl]acetamide
CID 80724592
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide (CID 139833853) is N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide is COc1cc(NC(=O)C(=O)NCc2cccs2)cc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is STZHRGWNOJRUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-22-11-6-9(5-10(7-11)17(20)21)16-14(19)13(18)15-8-12-3-2-4-23-12/h2-7H,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 335.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 139833853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).