5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide

C21H14ClNO2S — CID 18224856

IUPAC5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H14ClNO2S/c22-16-8-3-1-6-14(16)18-11-12-19(25-18)21(24)23-17-9-4-2-7-15(17)20-10-5-13-26-20/h1-13H,(H,23,24)
InChIKeyBYVYBCVRQLZKHT-UHFFFAOYSA-N
MW379.87 g/mol
LogP6.58
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide (PubChem CID 18224856) has the molecular formula C21H14ClNO2S and a molecular weight of 379.87 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
PubChem CID18224856
Molecular FormulaC21H14ClNO2S
Molecular Weight379.87 g/mol
Exact Mass379.04
IUPAC Name5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cccs1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H14ClNO2S/c22-16-8-3-1-6-14(16)18-11-12-19(25-18)21(24)23-17-9-4-2-7-15(17)20-10-5-13-26-20/h1-13H,(H,23,24)
InChIKeyBYVYBCVRQLZKHT-UHFFFAOYSA-N
XLogP6.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30334208
5-(2-chlorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
CID 9085411
5-(2-chlorophenyl)-N-(2-cyanophenyl)furan-2-carboxamide
CID 944882
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
3,5-dichloro-2-iodo-N-(2-thiophen-2-ylphenyl)benzamide
CID 16577558
5-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 9077694
5-(2-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 945346
5-[(2-oxo-1-pyridinyl)methyl]-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide
CID 31518835
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 47131140
5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 75414714
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide (CID 18224856) is 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide is O=C(Nc1ccccc1-c1cccs1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide?
The InChIKey is BYVYBCVRQLZKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2S/c22-16-8-3-1-6-14(16)18-11-12-19(25-18)21(24)23-17-9-4-2-7-15(17)20-10-5-13-26-20/h1-13H,(H,23,24).
What are the key properties of 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(2-thiophen-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 18224856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).