2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

C14H13Cl2NO2S — CID 103686301

IUPAC2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCC(O)c1ccsc1
InChIInChI=1S/C14H13Cl2NO2S/c15-11-2-1-3-12(16)10(11)6-14(19)17-7-13(18)9-4-5-20-8-9/h1-5,8,13,18H,6-7H2,(H,17,19)
InChIKeyCAOMADFXTTWSAQ-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.45
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (PubChem CID 103686301) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
PubChem CID103686301
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)NCC(O)c1ccsc1
InChIInChI=1S/C14H13Cl2NO2S/c15-11-2-1-3-12(16)10(11)6-14(19)17-7-13(18)9-4-5-20-8-9/h1-5,8,13,18H,6-7H2,(H,17,19)
InChIKeyCAOMADFXTTWSAQ-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 111972003
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]acetamide
CID 129357403
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 100690800

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (CID 103686301) is 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is O=C(Cc1c(Cl)cccc1Cl)NCC(O)c1ccsc1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The InChIKey is CAOMADFXTTWSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-11-2-1-3-12(16)10(11)6-14(19)17-7-13(18)9-4-5-20-8-9/h1-5,8,13,18H,6-7H2,(H,17,19).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide has a molecular weight of 330.24 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 103686301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).