3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide

C8H10ClNO2S — CID 80641115

IUPAC3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
SMILESCN(CCO)C(=O)c1sccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-10(3-4-11)8(12)7-6(9)2-5-13-7/h2,5,11H,3-4H2,1H3
InChIKeyWYPWRWOMEAVZTQ-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.47
Rot. Bonds3

About 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide

3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide (PubChem CID 80641115) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
PubChem CID80641115
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
SMILESCN(CCO)C(=O)c1sccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-10(3-4-11)8(12)7-6(9)2-5-13-7/h2,5,11H,3-4H2,1H3
InChIKeyWYPWRWOMEAVZTQ-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
CID 80642376
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide
CID 80644976
3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
CID 110899826
methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
CID 80641870
4-[[(3-chlorothiophene-2-carbonyl)-methylamino]methyl]benzoic acid
CID 80644635
N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80666056
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80641189
3-chloro-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83186616
3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
CID 102872856
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
3-amino-N-methyl-N-propylthiophene-2-carboxamide
CID 61095360

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide (CID 80641115) is 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide is CN(CCO)C(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is WYPWRWOMEAVZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-10(3-4-11)8(12)7-6(9)2-5-13-7/h2,5,11H,3-4H2,1H3.
What are the key properties of 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide?
3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 219.69 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 80641115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).