4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide

C8H10ClNO2S — CID 82114284

IUPAC4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide
SMILESNC(=O)CCC(O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c9-7-3-2-6(13-7)5(11)1-4-8(10)12/h2-3,5,11H,1,4H2,(H2,10,12)
InChIKeyAGLIOOCWHKEAMS-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.70
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide

4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide (PubChem CID 82114284) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide
PubChem CID82114284
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide
SMILESNC(=O)CCC(O)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c9-7-3-2-6(13-7)5(11)1-4-8(10)12/h2-3,5,11H,1,4H2,(H2,10,12)
InChIKeyAGLIOOCWHKEAMS-UHFFFAOYSA-N
XLogP1.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide (CID 82114284) is 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide is NC(=O)CCC(O)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide?
The InChIKey is AGLIOOCWHKEAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c9-7-3-2-6(13-7)5(11)1-4-8(10)12/h2-3,5,11H,1,4H2,(H2,10,12).
What are the key properties of 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide?
4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide has a molecular weight of 219.69 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-4-hydroxybutanamide is sourced from PubChem (CID 82114284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).