N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide

C12H20N2OS — CID 61333178

IUPACN-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
SMILESCCc1ccc(C(C)NCCNC(C)=O)s1
InChIInChI=1S/C12H20N2OS/c1-4-11-5-6-12(16-11)9(2)13-7-8-14-10(3)15/h5-6,9,13H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyWMJMQOINSASZTP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.10
Rot. Bonds6

About N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide

N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide (PubChem CID 61333178) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
PubChem CID61333178
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
SMILESCCc1ccc(C(C)NCCNC(C)=O)s1
InChIInChI=1S/C12H20N2OS/c1-4-11-5-6-12(16-11)9(2)13-7-8-14-10(3)15/h5-6,9,13H,4,7-8H2,1-3H3,(H,14,15)
InChIKeyWMJMQOINSASZTP-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
CID 61333187
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61333174
N-tert-butyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 81296864
N-[3-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61335117
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
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340
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
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide?
The IUPAC name of N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide (CID 61333178) is N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide is CCc1ccc(C(C)NCCNC(C)=O)s1.
What is the InChIKey of N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide?
The InChIKey is WMJMQOINSASZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-11-5-6-12(16-11)9(2)13-7-8-14-10(3)15/h5-6,9,13H,4,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide?
N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide has a molecular weight of 240.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide is sourced from PubChem (CID 61333178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).