N-(5-chlorothiophen-2-yl)propanamide

C7H8ClNOS — CID 55250531

IUPACN-(5-chlorothiophen-2-yl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNOS/c1-2-6(10)9-7-4-3-5(8)11-7/h3-4H,2H2,1H3,(H,9,10)
InChIKeyWTYUIOJKCMRXLZ-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.75
Rot. Bonds2

About N-(5-chlorothiophen-2-yl)propanamide

N-(5-chlorothiophen-2-yl)propanamide (PubChem CID 55250531) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)propanamide
PubChem CID55250531
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC NameN-(5-chlorothiophen-2-yl)propanamide
SMILESCCC(=O)Nc1ccc(Cl)s1
InChIInChI=1S/C7H8ClNOS/c1-2-6(10)9-7-4-3-5(8)11-7/h3-4H,2H2,1H3,(H,9,10)
InChIKeyWTYUIOJKCMRXLZ-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-chlorothiophen-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)propanamide (CID 55250531) is N-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)propanamide is CCC(=O)Nc1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is WTYUIOJKCMRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-2-6(10)9-7-4-3-5(8)11-7/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of N-(5-chlorothiophen-2-yl)propanamide?
N-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 189.67 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 55250531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).