2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide

C12H19ClN2OS — CID 43426633

IUPAC2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-4-15(5-2)12(16)9(3)14-8-10-6-7-11(13)17-10/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyBQADRSLMFKVCRU-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.75
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide

2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide (PubChem CID 43426633) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide
PubChem CID43426633
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-4-15(5-2)12(16)9(3)14-8-10-6-7-11(13)17-10/h6-7,9,14H,4-5,8H2,1-3H3
InChIKeyBQADRSLMFKVCRU-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide (CID 43426633) is 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide?
The InChIKey is BQADRSLMFKVCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-4-15(5-2)12(16)9(3)14-8-10-6-7-11(13)17-10/h6-7,9,14H,4-5,8H2,1-3H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide?
2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide has a molecular weight of 274.82 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 43426633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).