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

C12H20N2OS — CID 81495461

IUPAC2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)10-6-5-9(16-10)7-14-8-11(15)13-4/h5-6,14H,7-8H2,1-4H3,(H,13,15)
InChIKeyVXWCBAINUVSDPC-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.88
Rot. Bonds4

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

2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide (PubChem CID 81495461) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
PubChem CID81495461
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C12H20N2OS/c1-12(2,3)10-6-5-9(16-10)7-14-8-11(15)13-4/h5-6,14H,7-8H2,1-4H3,(H,13,15)
InChIKeyVXWCBAINUVSDPC-UHFFFAOYSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide (CID 81495461) is 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide is CNC(=O)CNCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide?
The InChIKey is VXWCBAINUVSDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-12(2,3)10-6-5-9(16-10)7-14-8-11(15)13-4/h5-6,14H,7-8H2,1-4H3,(H,13,15).
What are the key properties of 2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide?
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide has a molecular weight of 240.37 g/mol, XLogP of 1.88, 4 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-methylacetamide is sourced from PubChem (CID 81495461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).