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

C15H26N2OS — CID 81494861

IUPAC2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-6-9-16-14(18)11(2)17-10-12-7-8-13(19-12)15(3,4)5/h7-8,11,17H,6,9-10H2,1-5H3,(H,16,18)
InChIKeyQXLFLHJDLUMGFG-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.05
Rot. Bonds6

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

2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide (PubChem CID 81494861) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
PubChem CID81494861
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C15H26N2OS/c1-6-9-16-14(18)11(2)17-10-12-7-8-13(19-12)15(3,4)5/h7-8,11,17H,6,9-10H2,1-5H3,(H,16,18)
InChIKeyQXLFLHJDLUMGFG-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide
CID 81495688
N-butyl-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 61067131
3-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81498910
N-[(5-tert-butylthiophen-2-yl)methyl]-2-chloroacetamide
CID 166407428
(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
CID 103924351
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
2-[(5-cyanothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 115675429
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
(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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide (CID 81494861) is 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is QXLFLHJDLUMGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-6-9-16-14(18)11(2)17-10-12-7-8-13(19-12)15(3,4)5/h7-8,11,17H,6,9-10H2,1-5H3,(H,16,18).
What are the key properties of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide?
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 282.45 g/mol, XLogP of 3.05, 6 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-propylpropanamide is sourced from PubChem (CID 81494861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).