2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide

C14H24N2OS — CID 81495688

IUPAC2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C14H24N2OS/c1-6-15-13(17)10(2)16-9-11-7-8-12(18-11)14(3,4)5/h7-8,10,16H,6,9H2,1-5H3,(H,15,17)
InChIKeyRKVLFKGPSGNRSE-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.66
Rot. Bonds5

About 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide

2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide (PubChem CID 81495688) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide
PubChem CID81495688
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C14H24N2OS/c1-6-15-13(17)10(2)16-9-11-7-8-12(18-11)14(3,4)5/h7-8,10,16H,6,9H2,1-5H3,(H,15,17)
InChIKeyRKVLFKGPSGNRSE-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81494861
2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 115675429
N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067131
(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
CID 103924351
N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide
CID 166407428
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
CID 81495461
2-[(5-bromothiophen-2-yl)methylamino]-N-tert-butylpropanamide
CID 47165182

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide (CID 81495688) is 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide is CCNC(=O)C(C)NCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide?
The InChIKey is RKVLFKGPSGNRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-6-15-13(17)10(2)16-9-11-7-8-12(18-11)14(3,4)5/h7-8,10,16H,6,9H2,1-5H3,(H,15,17).
What are the key properties of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide?
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide has a molecular weight of 268.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide is sourced from PubChem (CID 81495688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).