N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide

C11H7IN2O3S — CID 7688896

IUPACN-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H7IN2O3S/c12-7-2-1-3-8(6-7)13-11(15)9-4-5-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKeyAYOAHWPXBXHACZ-UHFFFAOYSA-N
MW374.16 g/mol
LogP3.51
Rot. Bonds3

About N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide

N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide (PubChem CID 7688896) has the molecular formula C11H7IN2O3S and a molecular weight of 374.16 g/mol. Its IUPAC name is N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
PubChem CID7688896
Molecular FormulaC11H7IN2O3S
Molecular Weight374.16 g/mol
Exact Mass373.92
IUPAC NameN-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C11H7IN2O3S/c12-7-2-1-3-8(6-7)13-11(15)9-4-5-10(18-9)14(16)17/h1-6H,(H,13,15)
InChIKeyAYOAHWPXBXHACZ-UHFFFAOYSA-N
XLogP3.51
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide 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-ethynylphenyl)-5-nitrothiophene-2-carboxamide
CID 18147846
2-[3-[(5-nitrothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 65345874
N-[3-(dimethylcarbamoyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 29331999
N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
CID 112770102
N-(3-bromo-4-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 113245227
5-nitro-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4791478
2-bromo-5-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 115295852
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
5-hydroxy-2-[(5-nitrothiophene-2-carbonyl)amino]benzoic acid
CID 61406295
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
CID 26593085
N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 61221256
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
CID 79821868

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide (CID 7688896) is N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide is O=C(Nc1cccc(I)c1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is AYOAHWPXBXHACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IN2O3S/c12-7-2-1-3-8(6-7)13-11(15)9-4-5-10(18-9)14(16)17/h1-6H,(H,13,15).
What are the key properties of N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide?
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide has a molecular weight of 374.16 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 7688896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).