3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide

C10H14ClNO2S — CID 78888236

IUPAC3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-7(6-13)12-10(14)5-3-8-2-4-9(11)15-8/h2,4,7,13H,3,5-6H2,1H3,(H,12,14)
InChIKeyWRKUNCHUFUFVAV-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.83
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide

3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide (PubChem CID 78888236) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
PubChem CID78888236
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO2S/c1-7(6-13)12-10(14)5-3-8-2-4-9(11)15-8/h2,4,7,13H,3,5-6H2,1H3,(H,12,14)
InChIKeyWRKUNCHUFUFVAV-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 60508108
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 43418794
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 110004644
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652311
(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
CID 103778502
2-[3-(5-chlorothiophen-2-yl)propanoylamino]-4-methoxybutanoic acid
CID 120703252
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
CID 60545455
3-[2-(5-chlorothiophen-2-yl)ethylamino]butanoic acid
CID 106036883
(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid
CID 98015763
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide (CID 78888236) is 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide is CC(CO)NC(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide?
The InChIKey is WRKUNCHUFUFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-7(6-13)12-10(14)5-3-8-2-4-9(11)15-8/h2,4,7,13H,3,5-6H2,1H3,(H,12,14).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide?
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide has a molecular weight of 247.75 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 78888236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).