N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide

C13H12N2O4S — CID 51160514

IUPACN-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)s1
InChIInChI=1S/C13H12N2O4S/c1-8-3-6-12(20-8)13(16)14-10-7-9(15(17)18)4-5-11(10)19-2/h3-7H,1-2H3,(H,14,16)
InChIKeyLSUSWQFKQBHZNR-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.23
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide

N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 51160514) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
PubChem CID51160514
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)s1
InChIInChI=1S/C13H12N2O4S/c1-8-3-6-12(20-8)13(16)14-10-7-9(15(17)18)4-5-11(10)19-2/h3-7H,1-2H3,(H,14,16)
InChIKeyLSUSWQFKQBHZNR-UHFFFAOYSA-N
XLogP3.23
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 61074376
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]-5-nitroaniline
CID 43717727
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 43424598
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide (CID 51160514) is N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)s1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is LSUSWQFKQBHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-8-3-6-12(20-8)13(16)14-10-7-9(15(17)18)4-5-11(10)19-2/h3-7H,1-2H3,(H,14,16).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide?
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 51160514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).