3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide

C11H18N2OS — CID 61333187

IUPAC3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
SMILESCCc1ccc(C(C)NCCC(N)=O)s1
InChIInChI=1S/C11H18N2OS/c1-3-9-4-5-10(15-9)8(2)13-7-6-11(12)14/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,14)
InChIKeyLJNSIXICPBCVJS-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.84
Rot. Bonds6

About 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide

3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide (PubChem CID 61333187) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
PubChem CID61333187
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
SMILESCCc1ccc(C(C)NCCC(N)=O)s1
InChIInChI=1S/C11H18N2OS/c1-3-9-4-5-10(15-9)8(2)13-7-6-11(12)14/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,14)
InChIKeyLJNSIXICPBCVJS-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
CID 61333178
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61333174
2-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylpropanamide
CID 61336100
N-tert-butyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 81296864
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963
N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine
CID 55198066
1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713770
N-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899
N-cyclopropyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 61333566
N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 61334719

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide?
The IUPAC name of 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide (CID 61333187) is 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide.
What is the SMILES notation for 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide?
The canonical SMILES for 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide is CCc1ccc(C(C)NCCC(N)=O)s1.
What is the InChIKey of 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide?
The InChIKey is LJNSIXICPBCVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-9-4-5-10(15-9)8(2)13-7-6-11(12)14/h4-5,8,13H,3,6-7H2,1-2H3,(H2,12,14).
What are the key properties of 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide?
3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide has a molecular weight of 226.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide is sourced from PubChem (CID 61333187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).