N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide

C17H13N3O3S — CID 112770102

IUPACN-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C17H13N3O3S/c21-17(15-10-11-16(24-15)20(22)23)19-14-9-5-4-8-13(14)18-12-6-2-1-3-7-12/h1-11,18H,(H,19,21)
InChIKeyHNGVNBGLJJOWTQ-UHFFFAOYSA-N
MW339.38 g/mol
LogP4.65
Rot. Bonds5

About N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide

N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide (PubChem CID 112770102) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
PubChem CID112770102
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1Nc1ccccc1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C17H13N3O3S/c21-17(15-10-11-16(24-15)20(22)23)19-14-9-5-4-8-13(14)18-12-6-2-1-3-7-12/h1-11,18H,(H,19,21)
InChIKeyHNGVNBGLJJOWTQ-UHFFFAOYSA-N
XLogP4.65
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
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'}

Analyze N-(2-anilinophenyl)-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-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896
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
5-nitro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 16545699
2-[3-[(5-nitrothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 65345874
N-(4-methoxynaphthalen-1-yl)-5-nitrothiophene-2-carboxamide
CID 2318964
N-benzhydryl-5-nitrothiophene-2-carboxamide
CID 2713445
N-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 61221256
N-[2-(2-cyanoethylsulfanyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 4259217
N-(3-ethynylphenyl)-5-nitrothiophene-2-carboxamide
CID 18147846
5-nitro-N-phenacylthiophene-2-carboxamide
CID 106737184

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide (CID 112770102) is N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide is O=C(Nc1ccccc1Nc1ccccc1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is HNGVNBGLJJOWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-17(15-10-11-16(24-15)20(22)23)19-14-9-5-4-8-13(14)18-12-6-2-1-3-7-12/h1-11,18H,(H,19,21).
What are the key properties of N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide?
N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 112770102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).