2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide

C12H18N2OS — CID 115923508

IUPAC2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)c1sccc1C
InChIInChI=1S/C12H18N2OS/c1-4-6-13-11(15)8-14-10(3)12-9(2)5-7-16-12/h4-5,7,10,14H,1,6,8H2,2-3H3,(H,13,15)
InChIKeyBDGDBWHLTFEOHW-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.01
Rot. Bonds6

About 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide

2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide (PubChem CID 115923508) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide
PubChem CID115923508
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)c1sccc1C
InChIInChI=1S/C12H18N2OS/c1-4-6-13-11(15)8-14-10(3)12-9(2)5-7-16-12/h4-5,7,10,14H,1,6,8H2,2-3H3,(H,13,15)
InChIKeyBDGDBWHLTFEOHW-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide (CID 115923508) is 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNC(C)c1sccc1C.
What is the InChIKey of 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide?
The InChIKey is BDGDBWHLTFEOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-6-13-11(15)8-14-10(3)12-9(2)5-7-16-12/h4-5,7,10,14H,1,6,8H2,2-3H3,(H,13,15).
What are the key properties of 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide?
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide has a molecular weight of 238.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 115923508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).