N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide

C17H21NO2S — CID 111452247

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)C(=O)NCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C17H21NO2S/c1-12-5-4-6-14(9-12)13(2)16(19)18-11-17(3,20)15-7-8-21-10-15/h4-10,13,20H,11H2,1-3H3,(H,18,19)
InChIKeyFDZBWSHOQABQRN-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.18
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide (PubChem CID 111452247) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide
PubChem CID111452247
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)C(=O)NCC(C)(O)c2ccsc2)c1
InChIInChI=1S/C17H21NO2S/c1-12-5-4-6-14(9-12)13(2)16(19)18-11-17(3,20)15-7-8-21-10-15/h4-10,13,20H,11H2,1-3H3,(H,18,19)
InChIKeyFDZBWSHOQABQRN-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
CID 111451994
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-methyl-3-phenylsulfanylpropanamide
CID 111720061
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(3-methylphenoxy)butanamide
CID 111451808
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
2-benzylsulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452281
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
CID 111451949
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide (CID 111452247) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide is Cc1cccc(C(C)C(=O)NCC(C)(O)c2ccsc2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide?
The InChIKey is FDZBWSHOQABQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12-5-4-6-14(9-12)13(2)16(19)18-11-17(3,20)15-7-8-21-10-15/h4-10,13,20H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide has a molecular weight of 303.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(3-methylphenyl)propanamide is sourced from PubChem (CID 111452247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).