N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide

C15H26N2OS — CID 54900811

IUPACN-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C15H26N2OS/c1-6-10(2)17-15(18)7-8-16-12(4)14-9-11(3)19-13(14)5/h9-10,12,16H,6-8H2,1-5H3,(H,17,18)
InChIKeyDMFKOCJDSARVKA-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.32
Rot. Bonds7

About N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide

N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide (PubChem CID 54900811) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide
PubChem CID54900811
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide
SMILESCCC(C)NC(=O)CCNC(C)c1cc(C)sc1C
InChIInChI=1S/C15H26N2OS/c1-6-10(2)17-15(18)7-8-16-12(4)14-9-11(3)19-13(14)5/h9-10,12,16H,6-8H2,1-5H3,(H,17,18)
InChIKeyDMFKOCJDSARVKA-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide 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 N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide (CID 54900811) is N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide is CCC(C)NC(=O)CCNC(C)c1cc(C)sc1C.
What is the InChIKey of N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide?
The InChIKey is DMFKOCJDSARVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-6-10(2)17-15(18)7-8-16-12(4)14-9-11(3)19-13(14)5/h9-10,12,16H,6-8H2,1-5H3,(H,17,18).
What are the key properties of N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide?
N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide has a molecular weight of 282.45 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanamide is sourced from PubChem (CID 54900811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).