4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide

C13H17Cl2NO3S — CID 109478928

IUPAC4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide
SMILESCCC(CCO)NC(=O)CCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-2-8(5-6-17)16-12(19)4-3-10(18)9-7-11(14)20-13(9)15/h7-8,17H,2-6H2,1H3,(H,16,19)
InChIKeyUZBHRRTYYMIDJB-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.30
Rot. Bonds8

About 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide

4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide (PubChem CID 109478928) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide
PubChem CID109478928
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide
SMILESCCC(CCO)NC(=O)CCC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-2-8(5-6-17)16-12(19)4-3-10(18)9-7-11(14)20-13(9)15/h7-8,17H,2-6H2,1H3,(H,16,19)
InChIKeyUZBHRRTYYMIDJB-UHFFFAOYSA-N
XLogP3.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107966093
1-(2,5-dichlorothiophen-3-yl)nonan-1-one
CID 65450253
1-(2,5-dichlorothiophen-3-yl)-2-ethylbutan-1-one
CID 43344748
N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
CID 109479134
N-(1-hydroxypentan-3-yl)pent-4-ynamide
CID 107262073
N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide
CID 109479267
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
2-(2-chloro-5-methylphenoxy)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767371
2-[(3-chlorophenyl)methylsulfanyl]-N-(1-hydroxypentan-3-yl)acetamide
CID 109478805
2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 107963424
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
N-(1-hydroxypentan-3-yl)-3-(2-methoxyphenyl)propanamide
CID 115767199

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide (CID 109478928) is 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide is CCC(CCO)NC(=O)CCC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide?
The InChIKey is UZBHRRTYYMIDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-2-8(5-6-17)16-12(19)4-3-10(18)9-7-11(14)20-13(9)15/h7-8,17H,2-6H2,1H3,(H,16,19).
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide?
4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide has a molecular weight of 338.26 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-N-(1-hydroxypentan-3-yl)-4-oxobutanamide is sourced from PubChem (CID 109478928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).