2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

C19H23NO3S — CID 30943676

IUPAC2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C19H23NO3S/c1-2-23-16-7-4-3-6-15(16)18(21)20-14-19(9-11-22-12-10-19)17-8-5-13-24-17/h3-8,13H,2,9-12,14H2,1H3,(H,20,21)
InChIKeyJJYYLLOZUANQAI-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.62
Rot. Bonds6

About 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (PubChem CID 30943676) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
PubChem CID30943676
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C19H23NO3S/c1-2-23-16-7-4-3-6-15(16)18(21)20-14-19(9-11-22-12-10-19)17-8-5-13-24-17/h3-8,13H,2,9-12,14H2,1H3,(H,20,21)
InChIKeyJJYYLLOZUANQAI-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 72717858
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
bis(N-[(4-hydroxy-1-thiophen-2-ylcyclohexyl)methyl]-2-methoxybenzamide);2-methoxy-N-[(4-oxo-1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 158858719
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-ethoxybenzamide
CID 113313447
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
CID 103970265
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (CID 30943676) is 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is CCOc1ccccc1C(=O)NCC1(c2cccs2)CCOCC1.
What is the InChIKey of 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The InChIKey is JJYYLLOZUANQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-2-23-16-7-4-3-6-15(16)18(21)20-14-19(9-11-22-12-10-19)17-8-5-13-24-17/h3-8,13H,2,9-12,14H2,1H3,(H,20,21).
What are the key properties of 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide has a molecular weight of 345.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 30943676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).