4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C12H12ClNO2S — CID 82109127

IUPAC4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCc1oc(C(=O)NCc2cccs2)cc1CCl
InChIInChI=1S/C12H12ClNO2S/c1-8-9(6-13)5-11(16-8)12(15)14-7-10-3-2-4-17-10/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyHJLJVZAICPSWLW-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.32
Rot. Bonds4

About 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide

4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 82109127) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID82109127
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCc1oc(C(=O)NCc2cccs2)cc1CCl
InChIInChI=1S/C12H12ClNO2S/c1-8-9(6-13)5-11(16-8)12(15)14-7-10-3-2-4-17-10/h2-5H,6-7H2,1H3,(H,14,15)
InChIKeyHJLJVZAICPSWLW-UHFFFAOYSA-N
XLogP3.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-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

2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
5-methyl-4-[(2-thiophen-2-ylethylamino)methyl]furan-2-carboxylic acid
CID 103235548
5-methyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63582957
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53195229
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113
6-methoxy-N-(thiophen-2-ylmethyl)furo[2,3-b]quinoline-2-carboxamide
CID 3245490
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 82109127) is 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide is Cc1oc(C(=O)NCc2cccs2)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is HJLJVZAICPSWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-8-9(6-13)5-11(16-8)12(15)14-7-10-3-2-4-17-10/h2-5H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 269.75 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 82109127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).