N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide

C17H21NO2S — CID 121132084

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-3-13-4-6-14(7-5-13)17(20)18-10-8-16(19)15-9-11-21-12-15/h4-7,9,11-12,16,19H,2-3,8,10H2,1H3,(H,18,20)
InChIKeyZUKBWHLBDJMAAS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.55
Rot. Bonds7

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide (PubChem CID 121132084) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
PubChem CID121132084
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-3-13-4-6-14(7-5-13)17(20)18-10-8-16(19)15-9-11-21-12-15/h4-7,9,11-12,16,19H,2-3,8,10H2,1H3,(H,18,20)
InChIKeyZUKBWHLBDJMAAS-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-4-(trifluoromethoxy)benzamide
CID 99981283
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
CID 30604751
3-(dimethylamino)-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
CID 99981051
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
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
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-pentyl-4-propylbenzamide
CID 70894308

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide (CID 121132084) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide is CCCc1ccc(C(=O)NCCC(O)c2ccsc2)cc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide?
The InChIKey is ZUKBWHLBDJMAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-3-13-4-6-14(7-5-13)17(20)18-10-8-16(19)15-9-11-21-12-15/h4-7,9,11-12,16,19H,2-3,8,10H2,1H3,(H,18,20).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide has a molecular weight of 303.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide is sourced from PubChem (CID 121132084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).