N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide

C8H10ClNO2S — CID 115140641

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-5(11)8(12)10-4-6-2-3-7(9)13-6/h2-3,5,11H,4H2,1H3,(H,10,12)
InChIKeyXWWXYQYKRWWCHP-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.40
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide

N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide (PubChem CID 115140641) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
PubChem CID115140641
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-5(11)8(12)10-4-6-2-3-7(9)13-6/h2-3,5,11H,4H2,1H3,(H,10,12)
InChIKeyXWWXYQYKRWWCHP-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 115187291
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
CID 106112944
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
2-(4-chloro-2-methylphenoxy)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 46593806
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)propanamide
CID 46596451
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
3-[(5-chlorothiophen-2-yl)methyl]-1,1-diethylurea
CID 115584114
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
(2S)-2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 29295898
N-[1-[(5-chlorothiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55587983

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide (CID 115140641) is N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide is CC(O)C(=O)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide?
The InChIKey is XWWXYQYKRWWCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-5(11)8(12)10-4-6-2-3-7(9)13-6/h2-3,5,11H,4H2,1H3,(H,10,12).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide has a molecular weight of 219.69 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide is sourced from PubChem (CID 115140641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).