2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide

C12H19ClN2OS — CID 43435789

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-4-7-14-12(16)9(3)15-8(2)10-5-6-11(13)17-10/h5-6,8-9,15H,4,7H2,1-3H3,(H,14,16)
InChIKeyZIAAOHOSKGKEES-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.97
Rot. Bonds6

About 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide

2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide (PubChem CID 43435789) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
PubChem CID43435789
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-4-7-14-12(16)9(3)15-8(2)10-5-6-11(13)17-10/h5-6,8-9,15H,4,7H2,1-3H3,(H,14,16)
InChIKeyZIAAOHOSKGKEES-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 61469359
(2R)-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylpropanamide
CID 103932076
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 43226780
N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
CID 61473794
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 103875860
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide (CID 43435789) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide?
The InChIKey is ZIAAOHOSKGKEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-4-7-14-12(16)9(3)15-8(2)10-5-6-11(13)17-10/h5-6,8-9,15H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide?
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide has a molecular weight of 274.82 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 43435789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).