2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide

C12H11Cl2NO2S2 — CID 111442284

IUPAC2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc(Cl)sc1Cl)c1cccs1
InChIInChI=1S/C12H11Cl2NO2S2/c1-12(17,8-3-2-4-18-8)6-15-11(16)7-5-9(13)19-10(7)14/h2-5,17H,6H2,1H3,(H,15,16)
InChIKeyYJLVBNMLZZIYKW-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.75
Rot. Bonds4

About 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide

2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide (PubChem CID 111442284) has the molecular formula C12H11Cl2NO2S2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
PubChem CID111442284
Molecular FormulaC12H11Cl2NO2S2
Molecular Weight336.27 g/mol
Exact Mass334.96
IUPAC Name2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc(Cl)sc1Cl)c1cccs1
InChIInChI=1S/C12H11Cl2NO2S2/c1-12(17,8-3-2-4-18-8)6-15-11(16)7-5-9(13)19-10(7)14/h2-5,17H,6H2,1H3,(H,15,16)
InChIKeyYJLVBNMLZZIYKW-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 110007380
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 107963443
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
5-chloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-8-carboxamide
CID 111441820
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4,5-dimethoxy-2-nitrobenzamide
CID 90499855
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide (CID 111442284) is 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide is CC(O)(CNC(=O)c1cc(Cl)sc1Cl)c1cccs1.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide?
The InChIKey is YJLVBNMLZZIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2S2/c1-12(17,8-3-2-4-18-8)6-15-11(16)7-5-9(13)19-10(7)14/h2-5,17H,6H2,1H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide has a molecular weight of 336.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 111442284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).