N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide

C17H21NO2S — CID 110306927

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
SMILESCc1ccc(C(Cc2cccs2)C(=O)N[C@@H](C)CO)cc1
InChIInChI=1S/C17H21NO2S/c1-12-5-7-14(8-6-12)16(10-15-4-3-9-21-15)17(20)18-13(2)11-19/h3-9,13,16,19H,10-11H2,1-2H3,(H,18,20)/t13-,16?/m0/s1
InChIKeyCJRDFBVRTKXJTA-KNVGNIICSA-N
MW303.43 g/mol
LogP2.88
Rot. Bonds6

About N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide

N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide (PubChem CID 110306927) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
PubChem CID110306927
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
SMILESCc1ccc(C(Cc2cccs2)C(=O)N[C@@H](C)CO)cc1
InChIInChI=1S/C17H21NO2S/c1-12-5-7-14(8-6-12)16(10-15-4-3-9-21-15)17(20)18-13(2)11-19/h3-9,13,16,19H,10-11H2,1-2H3,(H,18,20)/t13-,16?/m0/s1
InChIKeyCJRDFBVRTKXJTA-KNVGNIICSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide
CID 110296604
3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpropanamide
CID 110296595
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
N-propan-2-yl-2-(1-thiophen-2-ylpropan-2-ylamino)propanamide
CID 63291724
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 106312517

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide (CID 110306927) is N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide is Cc1ccc(C(Cc2cccs2)C(=O)N[C@@H](C)CO)cc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide?
The InChIKey is CJRDFBVRTKXJTA-KNVGNIICSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12-5-7-14(8-6-12)16(10-15-4-3-9-21-15)17(20)18-13(2)11-19/h3-9,13,16,19H,10-11H2,1-2H3,(H,18,20)/t13-,16?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide?
N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide has a molecular weight of 303.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110306927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).