N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

C23H20N2O2S — CID 59432577

IUPACN-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3ccco3)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C23H20N2O2S/c1-15-5-7-17(8-6-15)18-12-19(14-20(13-18)23-24-9-11-28-23)22(26)25-16(2)21-4-3-10-27-21/h3-14,16H,1-2H3,(H,25,26)
InChIKeyZNXSFFFGVVSRGE-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.87
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide

N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 59432577) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
PubChem CID59432577
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)c3ccco3)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C23H20N2O2S/c1-15-5-7-17(8-6-15)18-12-19(14-20(13-18)23-24-9-11-28-23)22(26)25-16(2)21-4-3-10-27-21/h3-14,16H,1-2H3,(H,25,26)
InChIKeyZNXSFFFGVVSRGE-UHFFFAOYSA-N
XLogP5.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide (CID 59432577) is N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)NC(C)c3ccco3)cc(-c3nccs3)c2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZNXSFFFGVVSRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-5-7-17(8-6-15)18-12-19(14-20(13-18)23-24-9-11-28-23)22(26)25-16(2)21-4-3-10-27-21/h3-14,16H,1-2H3,(H,25,26).
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide?
N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59432577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).