N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide

C17H21NO2S — CID 90496748

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC(O)c2sccc2C)cc1
InChIInChI=1S/C17H21NO2S/c1-3-4-13-5-7-14(8-6-13)17(20)18-11-15(19)16-12(2)9-10-21-16/h5-10,15,19H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyROBJWWWZMOFQFI-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.47
Rot. Bonds6

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide (PubChem CID 90496748) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide
PubChem CID90496748
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC(O)c2sccc2C)cc1
InChIInChI=1S/C17H21NO2S/c1-3-4-13-5-7-14(8-6-13)17(20)18-11-15(19)16-12(2)9-10-21-16/h5-10,15,19H,3-4,11H2,1-2H3,(H,18,20)
InChIKeyROBJWWWZMOFQFI-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 95366989
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 160892074
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-5-nitrofuran-2-carboxamide
CID 90496744
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 90496756
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 90496966
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 90496752
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 90496727
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide (CID 90496748) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCC(O)c2sccc2C)cc1.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide?
The InChIKey is ROBJWWWZMOFQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-3-4-13-5-7-14(8-6-13)17(20)18-11-15(19)16-12(2)9-10-21-16/h5-10,15,19H,3-4,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide has a molecular weight of 303.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide is sourced from PubChem (CID 90496748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).