N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide

C12H19N3O2S — CID 3078788

IUPACN-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sccc1N(CCN(C)C)C(C)=O
InChIInChI=1S/C12H19N3O2S/c1-9(16)13-12-11(5-8-18-12)15(10(2)17)7-6-14(3)4/h5,8H,6-7H2,1-4H3,(H,13,16)
InChIKeyNNORZYFXJMDCMM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.62
Rot. Bonds5

About N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide

N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide (PubChem CID 3078788) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide
PubChem CID3078788
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sccc1N(CCN(C)C)C(C)=O
InChIInChI=1S/C12H19N3O2S/c1-9(16)13-12-11(5-8-18-12)15(10(2)17)7-6-14(3)4/h5,8H,6-7H2,1-4H3,(H,13,16)
InChIKeyNNORZYFXJMDCMM-UHFFFAOYSA-N
XLogP1.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide 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-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide?
The IUPAC name of N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide (CID 3078788) is N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide is CC(=O)Nc1sccc1N(CCN(C)C)C(C)=O.
What is the InChIKey of N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide?
The InChIKey is NNORZYFXJMDCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(16)13-12-11(5-8-18-12)15(10(2)17)7-6-14(3)4/h5,8H,6-7H2,1-4H3,(H,13,16).
What are the key properties of N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide?
N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide is sourced from PubChem (CID 3078788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).