2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide

C8H11ClN2O2S — CID 115179707

IUPAC2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide
SMILESCN(C(=O)C(N)CO)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClN2O2S/c1-11(8(13)5(10)4-12)7-3-2-6(9)14-7/h2-3,5,12H,4,10H2,1H3
InChIKeyKVHJSSQBUGBXDJ-UHFFFAOYSA-N
MW234.71 g/mol
LogP0.68
Rot. Bonds3

About 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide

2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide (PubChem CID 115179707) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide
PubChem CID115179707
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide
SMILESCN(C(=O)C(N)CO)c1ccc(Cl)s1
InChIInChI=1S/C8H11ClN2O2S/c1-11(8(13)5(10)4-12)7-3-2-6(9)14-7/h2-3,5,12H,4,10H2,1H3
InChIKeyKVHJSSQBUGBXDJ-UHFFFAOYSA-N
XLogP0.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea
CID 115192475
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
3-amino-4-[(5-chlorothiophen-2-yl)-methylamino]butanoic acid
CID 115241562
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 115179752
2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
CID 115179779
2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179753
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide (CID 115179707) is 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide is CN(C(=O)C(N)CO)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide?
The InChIKey is KVHJSSQBUGBXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-11(8(13)5(10)4-12)7-3-2-6(9)14-7/h2-3,5,12H,4,10H2,1H3.
What are the key properties of 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide?
2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide has a molecular weight of 234.71 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115179707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).