N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide

C15H14N2O5S — CID 2520723

IUPACN-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C15H14N2O5S/c1-22-13-6-4-10(17(20)21)9-11(13)16-15(19)7-5-12(18)14-3-2-8-23-14/h2-4,6,8-9H,5,7H2,1H3,(H,16,19)
InChIKeyYFPFKOFQEXGILH-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.27
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 2520723) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID2520723
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C15H14N2O5S/c1-22-13-6-4-10(17(20)21)9-11(13)16-15(19)7-5-12(18)14-3-2-8-23-14/h2-4,6,8-9H,5,7H2,1H3,(H,16,19)
InChIKeyYFPFKOFQEXGILH-UHFFFAOYSA-N
XLogP3.27
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxy-5-nitrophenyl)-5-methylthiophene-3-carboxamide
CID 1246830
N-(2-methoxy-5-nitrophenyl)-2-methylsulfanylbenzamide
CID 2227244
N-(2,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 5011557
N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 764595
N-(2-methoxy-5-nitrophenyl)-2-(phenylthio)acetamide
CID 798201
N-(2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1247619
[4-(2-Methoxy-5-nitroanilino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 2981721
[2-(2-Methoxyanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 2097446
2-(2-methoxyethylsulfanyl)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2218454
N-(2-methoxy-5-nitrophenyl)thiophene-2-carboxamide
CID 811139
5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-2-carboxamide
CID 1247109
N-(2-methoxyphenyl)-3-(4-nitrophenyl)sulfanyl-thiophene-2-carboxamide
CID 60142736

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 2520723) is N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1cccs1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is YFPFKOFQEXGILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-22-13-6-4-10(17(20)21)9-11(13)16-15(19)7-5-12(18)14-3-2-8-23-14/h2-4,6,8-9H,5,7H2,1H3,(H,16,19).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 334.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2520723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).