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

C13H11Cl2NO2S — CID 103604584

IUPAC2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c14-11-6-9(12(15)19-11)13(18)16-7-10(17)8-4-2-1-3-5-8/h1-6,10,17H,7H2,(H,16,18)
InChIKeyRNTZDBNAVBEIQF-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.52
Rot. Bonds4

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

2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide (PubChem CID 103604584) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
PubChem CID103604584
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c14-11-6-9(12(15)19-11)13(18)16-7-10(17)8-4-2-1-3-5-8/h1-6,10,17H,7H2,(H,16,18)
InChIKeyRNTZDBNAVBEIQF-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 115930153
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
CID 7189543
2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
CID 111447072
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide (CID 103604584) is 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide is O=C(NCC(O)c1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide?
The InChIKey is RNTZDBNAVBEIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c14-11-6-9(12(15)19-11)13(18)16-7-10(17)8-4-2-1-3-5-8/h1-6,10,17H,7H2,(H,16,18).
What are the key properties of 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide has a molecular weight of 316.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 103604584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).