N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide

C11H15N3OS — CID 47007154

IUPACN-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C11H15N3OS/c1-3-14(4-2)8-10(15)13-11-9(7-12)5-6-16-11/h5-6H,3-4,8H2,1-2H3,(H,13,15)
InChIKeyPDUGHPCGTMUHAS-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.90
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide

N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide (PubChem CID 47007154) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide
PubChem CID47007154
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1sccc1C#N
InChIInChI=1S/C11H15N3OS/c1-3-14(4-2)8-10(15)13-11-9(7-12)5-6-16-11/h5-6H,3-4,8H2,1-2H3,(H,13,15)
InChIKeyPDUGHPCGTMUHAS-UHFFFAOYSA-N
XLogP1.90
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanothiophen-2-yl)-2-(diethylamino)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-cyanothiophen-2-yl)-2-(diethylamino)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide (CID 47007154) is N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide?
The InChIKey is PDUGHPCGTMUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-14(4-2)8-10(15)13-11-9(7-12)5-6-16-11/h5-6H,3-4,8H2,1-2H3,(H,13,15).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide?
N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide has a molecular weight of 237.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(diethylamino)acetamide is sourced from PubChem (CID 47007154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).