2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide

C20H19NO2S — CID 90596843

IUPAC2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C20H19NO2S/c1-2-23-19-10-6-5-9-18(19)20(22)21-13-15-7-3-4-8-17(15)16-11-12-24-14-16/h3-12,14H,2,13H2,1H3,(H,21,22)
InChIKeyPSJRCZZNWTUXKB-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.74
Rot. Bonds6

About 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide

2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (PubChem CID 90596843) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
PubChem CID90596843
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C20H19NO2S/c1-2-23-19-10-6-5-9-18(19)20(22)21-13-15-7-3-4-8-17(15)16-11-12-24-14-16/h3-12,14H,2,13H2,1H3,(H,21,22)
InChIKeyPSJRCZZNWTUXKB-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 121145078

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide (CID 90596843) is 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is CCOc1ccccc1C(=O)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
The InChIKey is PSJRCZZNWTUXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-2-23-19-10-6-5-9-18(19)20(22)21-13-15-7-3-4-8-17(15)16-11-12-24-14-16/h3-12,14H,2,13H2,1H3,(H,21,22).
What are the key properties of 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide?
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide has a molecular weight of 337.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide is sourced from PubChem (CID 90596843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).