N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide

C11H9BrN2O4S — CID 54942261

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H9BrN2O4S/c1-13(5-8-4-7(12)6-19-8)11(15)9-2-3-10(18-9)14(16)17/h2-4,6H,5H2,1H3
InChIKeyPLSPQDFWYPQSLU-UHFFFAOYSA-N
MW345.17 g/mol
LogP3.28
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide (PubChem CID 54942261) has the molecular formula C11H9BrN2O4S and a molecular weight of 345.17 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
PubChem CID54942261
Molecular FormulaC11H9BrN2O4S
Molecular Weight345.17 g/mol
Exact Mass343.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H9BrN2O4S/c1-13(5-8-4-7(12)6-19-8)11(15)9-2-3-10(18-9)14(16)17/h2-4,6H,5H2,1H3
InChIKeyPLSPQDFWYPQSLU-UHFFFAOYSA-N
XLogP3.28
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 53.28
H-Bond Donors ≤ 50
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-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-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-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 34867078
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 55780843
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-2-nitrobenzamide
CID 60785453
N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 112793958
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 115648822
N-(2-chloro-3-methoxypropyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 63397993
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
CID 53323017
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
N-[(4-bromothiophen-2-yl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47288271
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
N-[(4-bromothiophen-2-yl)methyl]-2-(4-nitrophenyl)acetamide
CID 47250405

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide (CID 54942261) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide is CN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide?
The InChIKey is PLSPQDFWYPQSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4S/c1-13(5-8-4-7(12)6-19-8)11(15)9-2-3-10(18-9)14(16)17/h2-4,6H,5H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide has a molecular weight of 345.17 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 54942261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).