4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide

C16H19NO2S — CID 121132069

IUPAC4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
SMILESCCc1ccc(C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C16H19NO2S/c1-2-12-3-5-13(6-4-12)16(19)17-9-7-15(18)14-8-10-20-11-14/h3-6,8,10-11,15,18H,2,7,9H2,1H3,(H,17,19)
InChIKeyCZVYRDQQLDJYSH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.16
Rot. Bonds6

About 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide

4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide (PubChem CID 121132069) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
PubChem CID121132069
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
SMILESCCc1ccc(C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C16H19NO2S/c1-2-12-3-5-13(6-4-12)16(19)17-9-7-15(18)14-8-10-20-11-14/h3-6,8,10-11,15,18H,2,7,9H2,1H3,(H,17,19)
InChIKeyCZVYRDQQLDJYSH-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide
CID 99981283
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
CID 99981051
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99981215
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
CID 86264109
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-nitrobenzamide
CID 121132093
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The IUPAC name of 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide (CID 121132069) is 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The canonical SMILES for 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide is CCc1ccc(C(=O)NCCC(O)c2ccsc2)cc1.
What is the InChIKey of 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The InChIKey is CZVYRDQQLDJYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-12-3-5-13(6-4-12)16(19)17-9-7-15(18)14-8-10-20-11-14/h3-6,8,10-11,15,18H,2,7,9H2,1H3,(H,17,19).
What are the key properties of 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide is sourced from PubChem (CID 121132069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).