N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide

C16H19NO3S — CID 95967214

IUPACN-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC[C@@H](O)c2cccs2)cc1
InChIInChI=1S/C16H19NO3S/c1-20-13-7-4-12(5-8-13)6-9-16(19)17-11-14(18)15-3-2-10-21-15/h2-5,7-8,10,14,18H,6,9,11H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyJHQHGQUOXCOKJL-CQSZACIVSA-N
MW305.40 g/mol
LogP2.54
Rot. Bonds7

About N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide

N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 95967214) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID95967214
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC[C@@H](O)c2cccs2)cc1
InChIInChI=1S/C16H19NO3S/c1-20-13-7-4-12(5-8-13)6-9-16(19)17-11-14(18)15-3-2-10-21-15/h2-5,7-8,10,14,18H,6,9,11H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyJHQHGQUOXCOKJL-CQSZACIVSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 7179343
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90603435
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
CID 71990852
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 71782438
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
1-(3-hydroxy-3-thiophen-2-ylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 90524306
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide (CID 95967214) is N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC[C@@H](O)c2cccs2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is JHQHGQUOXCOKJL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-20-13-7-4-12(5-8-13)6-9-16(19)17-11-14(18)15-3-2-10-21-15/h2-5,7-8,10,14,18H,6,9,11H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide?
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 95967214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).