3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide

C13H21ClN2OS — CID 54935393

IUPAC3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-4-16(5-2)13(17)8-9-15-10(3)11-6-7-12(14)18-11/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyFAZJPHGSVKPENF-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.31
Rot. Bonds7

About 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide

3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide (PubChem CID 54935393) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
PubChem CID54935393
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-4-16(5-2)13(17)8-9-15-10(3)11-6-7-12(14)18-11/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyFAZJPHGSVKPENF-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
ethyl 2-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethoxy]acetate
CID 103243974
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide (CID 54935393) is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(C)c1ccc(Cl)s1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide?
The InChIKey is FAZJPHGSVKPENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-4-16(5-2)13(17)8-9-15-10(3)11-6-7-12(14)18-11/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide?
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide has a molecular weight of 288.84 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 54935393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).