2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide

C9H12ClNOS — CID 71924278

IUPAC2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNOS/c1-6(9(12)11(2)3)7-4-5-8(10)13-7/h4-6H,1-3H3
InChIKeyVGSZTDOFMUUHFY-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.59
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide

2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide (PubChem CID 71924278) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide
PubChem CID71924278
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClNOS/c1-6(9(12)11(2)3)7-4-5-8(10)13-7/h4-6H,1-3H3
InChIKeyVGSZTDOFMUUHFY-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide (CID 71924278) is 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide?
The InChIKey is VGSZTDOFMUUHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-6(9(12)11(2)3)7-4-5-8(10)13-7/h4-6H,1-3H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide?
2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide has a molecular weight of 217.72 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 71924278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).