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

C11H17ClN2OS — CID 102976301

IUPAC2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H17ClN2OS/c1-3-4-13-11(15)6-14-8(2)9-5-10(12)16-7-9/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyUWFIBRCSQHEXAI-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.58
Rot. Bonds6

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

2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide (PubChem CID 102976301) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
PubChem CID102976301
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H17ClN2OS/c1-3-4-13-11(15)6-14-8(2)9-5-10(12)16-7-9/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyUWFIBRCSQHEXAI-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
CID 102976365
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
CID 106170372
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
2-[1-(2,4-dibromophenyl)ethylamino]-N-propylacetamide
CID 60781734

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide (CID 102976301) is 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)c1csc(Cl)c1.
What is the InChIKey of 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide?
The InChIKey is UWFIBRCSQHEXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-3-4-13-11(15)6-14-8(2)9-5-10(12)16-7-9/h5,7-8,14H,3-4,6H2,1-2H3,(H,13,15).
What are the key properties of 2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide?
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide has a molecular weight of 260.79 g/mol, XLogP of 2.58, 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-3-yl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 102976301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).