5-nitro-N-phenacylthiophene-2-carboxamide

C13H10N2O4S — CID 106737184

IUPAC5-nitro-N-phenacylthiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1
InChIInChI=1S/C13H10N2O4S/c16-10(9-4-2-1-3-5-9)8-14-13(17)11-6-7-12(20-11)15(18)19/h1-7H,8H2,(H,14,17)
InChIKeyLIBMRKMQZBRRPY-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.27
Rot. Bonds5

About 5-nitro-N-phenacylthiophene-2-carboxamide

5-nitro-N-phenacylthiophene-2-carboxamide (PubChem CID 106737184) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is 5-nitro-N-phenacylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-phenacylthiophene-2-carboxamide
PubChem CID106737184
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name5-nitro-N-phenacylthiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1
InChIInChI=1S/C13H10N2O4S/c16-10(9-4-2-1-3-5-9)8-14-13(17)11-6-7-12(20-11)15(18)19/h1-7H,8H2,(H,14,17)
InChIKeyLIBMRKMQZBRRPY-UHFFFAOYSA-N
XLogP2.27
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.27
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-(2-chloroprop-2-enyl)-5-nitrothiophene-2-carboxamide
CID 115636478
benzyl 2-[(5-nitrothiophene-2-carbonyl)amino]acetate
CID 26878197
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
N-benzhydryl-5-nitrothiophene-2-carboxamide
CID 2713445
N-(2-hydroxy-1-phenylethyl)-5-nitrothiophene-2-carboxamide
CID 63182470
2-ethyl-2-[[(5-nitrothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 115429625
N-[[4-(aminomethyl)phenyl]methyl]-5-nitrothiophene-2-carboxamide
CID 81090025
5-nitro-N-pent-4-ynylthiophene-2-carboxamide
CID 103709022
N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide
CID 18113604
2-[[(5-nitrothiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324206
N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
CID 112770102

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-phenacylthiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-phenacylthiophene-2-carboxamide (CID 106737184) is 5-nitro-N-phenacylthiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-phenacylthiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-phenacylthiophene-2-carboxamide is O=C(CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1.
What is the InChIKey of 5-nitro-N-phenacylthiophene-2-carboxamide?
The InChIKey is LIBMRKMQZBRRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c16-10(9-4-2-1-3-5-9)8-14-13(17)11-6-7-12(20-11)15(18)19/h1-7H,8H2,(H,14,17).
What are the key properties of 5-nitro-N-phenacylthiophene-2-carboxamide?
5-nitro-N-phenacylthiophene-2-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-phenacylthiophene-2-carboxamide is sourced from PubChem (CID 106737184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).