3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

C15H16ClNO2S — CID 103686344

IUPAC3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESO=C(CCc1ccccc1Cl)NCC(O)c1ccsc1
InChIInChI=1S/C15H16ClNO2S/c16-13-4-2-1-3-11(13)5-6-15(19)17-9-14(18)12-7-8-20-10-12/h1-4,7-8,10,14,18H,5-6,9H2,(H,17,19)
InChIKeyFICKZMJGRQLKIR-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.18
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (PubChem CID 103686344) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
PubChem CID103686344
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESO=C(CCc1ccccc1Cl)NCC(O)c1ccsc1
InChIInChI=1S/C15H16ClNO2S/c16-13-4-2-1-3-11(13)5-6-15(19)17-9-14(18)12-7-8-20-10-12/h1-4,7-8,10,14,18H,5-6,9H2,(H,17,19)
InChIKeyFICKZMJGRQLKIR-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide
CID 111450921

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (CID 103686344) is 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is O=C(CCc1ccccc1Cl)NCC(O)c1ccsc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The InChIKey is FICKZMJGRQLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-13-4-2-1-3-11(13)5-6-15(19)17-9-14(18)12-7-8-20-10-12/h1-4,7-8,10,14,18H,5-6,9H2,(H,17,19).
What are the key properties of 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide has a molecular weight of 309.82 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 103686344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).