N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide

C13H12ClNO2S — CID 164851927

IUPACN-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1CCO)c1cccs1
InChIInChI=1S/C13H12ClNO2S/c14-10-4-3-9(5-6-16)11(8-10)15-13(17)12-2-1-7-18-12/h1-4,7-8,16H,5-6H2,(H,15,17)
InChIKeyIJCOASREQBHFGA-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.19
Rot. Bonds4

About N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide

N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide (PubChem CID 164851927) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
PubChem CID164851927
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1CCO)c1cccs1
InChIInChI=1S/C13H12ClNO2S/c14-10-4-3-9(5-6-16)11(8-10)15-13(17)12-2-1-7-18-12/h1-4,7-8,16H,5-6H2,(H,15,17)
InChIKeyIJCOASREQBHFGA-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide
CID 142141961
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 51147954
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 2741510
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 8868793
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
(2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879714
(3,3-dimethyl-2-oxobutyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879705
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide
CID 50882577
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide (CID 164851927) is N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(Cl)ccc1CCO)c1cccs1.
What is the InChIKey of N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is IJCOASREQBHFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-10-4-3-9(5-6-16)11(8-10)15-13(17)12-2-1-7-18-12/h1-4,7-8,16H,5-6H2,(H,15,17).
What are the key properties of N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide?
N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 281.76 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 164851927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).