2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide

C13H20ClNO2S — CID 111825737

IUPAC2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
SMILESCC(C(=O)NCC(C)(O)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNO2S/c1-8(2)13(4,17)7-15-12(16)9(3)10-5-6-11(14)18-10/h5-6,8-9,17H,7H2,1-4H3,(H,15,16)
InChIKeyXLUNNUIBMJIDCO-UHFFFAOYSA-N
MW289.83 g/mol
LogP3.03
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide

2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide (PubChem CID 111825737) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
PubChem CID111825737
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
SMILESCC(C(=O)NCC(C)(O)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNO2S/c1-8(2)13(4,17)7-15-12(16)9(3)10-5-6-11(14)18-10/h5-6,8-9,17H,7H2,1-4H3,(H,15,16)
InChIKeyXLUNNUIBMJIDCO-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119640650
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
2-[2-(5-chlorothiophen-2-yl)propanoylamino]-2-methylbutanoic acid
CID 120518542
2-(5-chlorothiophen-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 111830053
2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111483772
2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120947097
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
(2S)-2-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
CID 97221772

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide (CID 111825737) is 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide is CC(C(=O)NCC(C)(O)C(C)C)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The InChIKey is XLUNNUIBMJIDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-8(2)13(4,17)7-15-12(16)9(3)10-5-6-11(14)18-10/h5-6,8-9,17H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide has a molecular weight of 289.83 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide is sourced from PubChem (CID 111825737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).