N-(3,4-dinitrophenyl)thiophene-2-carboxamide

C11H7N3O5S — CID 86673965

IUPACN-(3,4-dinitrophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H7N3O5S/c15-11(10-2-1-5-20-10)12-7-3-4-8(13(16)17)9(6-7)14(18)19/h1-6H,(H,12,15)
InChIKeyWEUVWWOWCYGWIB-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.82
Rot. Bonds4

About N-(3,4-dinitrophenyl)thiophene-2-carboxamide

N-(3,4-dinitrophenyl)thiophene-2-carboxamide (PubChem CID 86673965) has the molecular formula C11H7N3O5S and a molecular weight of 293.26 g/mol. Its IUPAC name is N-(3,4-dinitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dinitrophenyl)thiophene-2-carboxamide
PubChem CID86673965
Molecular FormulaC11H7N3O5S
Molecular Weight293.26 g/mol
Exact Mass293.01
IUPAC NameN-(3,4-dinitrophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H7N3O5S/c15-11(10-2-1-5-20-10)12-7-3-4-8(13(16)17)9(6-7)14(18)19/h1-6H,(H,12,15)
InChIKeyWEUVWWOWCYGWIB-UHFFFAOYSA-N
XLogP2.82
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.82
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-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
CID 768178
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
N-[1-(4-ethyl-3-nitroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86925253
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-(3,4-dinitrophenyl)-4-hydroxybenzamide
CID 86673990
N-methyl-N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24684787
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[4-[2-(2-nitroanilino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9278900
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dinitrophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3,4-dinitrophenyl)thiophene-2-carboxamide (CID 86673965) is N-(3,4-dinitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dinitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dinitrophenyl)thiophene-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of N-(3,4-dinitrophenyl)thiophene-2-carboxamide?
The InChIKey is WEUVWWOWCYGWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O5S/c15-11(10-2-1-5-20-10)12-7-3-4-8(13(16)17)9(6-7)14(18)19/h1-6H,(H,12,15).
What are the key properties of N-(3,4-dinitrophenyl)thiophene-2-carboxamide?
N-(3,4-dinitrophenyl)thiophene-2-carboxamide has a molecular weight of 293.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dinitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 86673965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).