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

C16H19NO3S — CID 111442061

IUPAC3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
SMILESCC(O)(CNC(=O)CCc1ccccc1O)c1cccs1
InChIInChI=1S/C16H19NO3S/c1-16(20,14-7-4-10-21-14)11-17-15(19)9-8-12-5-2-3-6-13(12)18/h2-7,10,18,20H,8-9,11H2,1H3,(H,17,19)
InChIKeyNDFQCBASKQLFDU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.41
Rot. Bonds6

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

3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide (PubChem CID 111442061) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
PubChem CID111442061
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
SMILESCC(O)(CNC(=O)CCc1ccccc1O)c1cccs1
InChIInChI=1S/C16H19NO3S/c1-16(20,14-7-4-10-21-14)11-17-15(19)9-8-12-5-2-3-6-13(12)18/h2-7,10,18,20H,8-9,11H2,1H3,(H,17,19)
InChIKeyNDFQCBASKQLFDU-UHFFFAOYSA-N
XLogP2.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide
CID 65109951
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 111720004
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanamide
CID 111442014
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide (CID 111442061) is 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide is CC(O)(CNC(=O)CCc1ccccc1O)c1cccs1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide?
The InChIKey is NDFQCBASKQLFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-16(20,14-7-4-10-21-14)11-17-15(19)9-8-12-5-2-3-6-13(12)18/h2-7,10,18,20H,8-9,11H2,1H3,(H,17,19).
What are the key properties of 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide?
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide is sourced from PubChem (CID 111442061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).