2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide

C12H20N2OS — CID 63993417

IUPAC2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCc1ccsc1C(C)NCC(=O)NC(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)14-11(15)7-13-10(4)12-9(3)5-6-16-12/h5-6,8,10,13H,7H2,1-4H3,(H,14,15)
InChIKeyBUCIWEXGTKPYHA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.23
Rot. Bonds5

About 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide

2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide (PubChem CID 63993417) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
PubChem CID63993417
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
SMILESCc1ccsc1C(C)NCC(=O)NC(C)C
InChIInChI=1S/C12H20N2OS/c1-8(2)14-11(15)7-13-10(4)12-9(3)5-6-16-12/h5-6,8,10,13H,7H2,1-4H3,(H,14,15)
InChIKeyBUCIWEXGTKPYHA-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide
CID 115923508
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575
2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400029
3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide
CID 63993085
2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636574
2,2-dimethyl-3-[[(1S)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636575
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860527
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63991666

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide (CID 63993417) is 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide is Cc1ccsc1C(C)NCC(=O)NC(C)C.
What is the InChIKey of 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide?
The InChIKey is BUCIWEXGTKPYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)14-11(15)7-13-10(4)12-9(3)5-6-16-12/h5-6,8,10,13H,7H2,1-4H3,(H,14,15).
What are the key properties of 2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide?
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide has a molecular weight of 240.37 g/mol, XLogP of 2.23, 5 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-propan-2-ylacetamide is sourced from PubChem (CID 63993417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).