2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide

C19H17NO3S — CID 70693495

IUPAC2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide
SMILESNC(=O)c1cc(-c2ccsc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H17NO3S/c20-19(21)17-12-14(15-8-11-24-13-15)6-7-18(17)23-10-9-22-16-4-2-1-3-5-16/h1-8,11-13H,9-10H2,(H2,20,21)
InChIKeyDLAJTAKUMNWEHT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.97
Rot. Bonds7

About 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide

2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide (PubChem CID 70693495) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide
PubChem CID70693495
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide
SMILESNC(=O)c1cc(-c2ccsc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H17NO3S/c20-19(21)17-12-14(15-8-11-24-13-15)6-7-18(17)23-10-9-22-16-4-2-1-3-5-16/h1-8,11-13H,9-10H2,(H2,20,21)
InChIKeyDLAJTAKUMNWEHT-UHFFFAOYSA-N
XLogP3.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

AMTB hydrochloride
CID 16095383
N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
CID 16095384
N-(2-aminoethyl)-2-phenylmethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 16035583
4,5-Dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
CID 66868934
(E)-3-(4-Ethoxy-3-fluoro-phenyl)-1-(2-methoxy-5-thiophen-2-yl-phenyl)-propenone
CID 22025563
6-Fluoro-2-oxo-3-thiophen-2-ylchromene-8-carboxamide
CID 178068635
6-Fluoro-2-oxo-3-thiophen-3-ylchromene-8-carboxamide
CID 178068759
3-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-N-methylsulfonylbenzamide
CID 71818443
3-[5-[[3-(2-Carbamoylphenyl)phenyl]methoxy]thiophen-2-yl]propanoic acid
CID 137657289
3-(2,3-Dihydro-1-benzofuran-5-yl)-4-methylsulfanylbenzamide
CID 172463842
2-methoxy-5-methyl-N-[(4-oxo-1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 177638719
2-Oxo-3-thiophen-3-ylchromene-8-carboxamide
CID 178068714

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide?
The IUPAC name of 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide (CID 70693495) is 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide is NC(=O)c1cc(-c2ccsc2)ccc1OCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide?
The InChIKey is DLAJTAKUMNWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c20-19(21)17-12-14(15-8-11-24-13-15)6-7-18(17)23-10-9-22-16-4-2-1-3-5-16/h1-8,11-13H,9-10H2,(H2,20,21).
What are the key properties of 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide?
2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-5-thiophen-3-ylbenzamide is sourced from PubChem (CID 70693495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).