2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide

C12H16N2OS — CID 79494761

IUPAC2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESCCC(C#N)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C12H16N2OS/c1-3-10(9-13)12(15)14(2)7-6-11-5-4-8-16-11/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyXNUJMAMNJKRUCT-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.30
Rot. Bonds5

About 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide

2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide (PubChem CID 79494761) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
PubChem CID79494761
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
SMILESCCC(C#N)C(=O)N(C)CCc1cccs1
InChIInChI=1S/C12H16N2OS/c1-3-10(9-13)12(15)14(2)7-6-11-5-4-8-16-11/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyXNUJMAMNJKRUCT-UHFFFAOYSA-N
XLogP2.30
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79493734
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
2-cyano-N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]butanamide
CID 115188457
N,2-dimethyl-3-(methylamino)-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119807079
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494668
2-amino-N-methyl-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79494111
2-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188455
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
N-methyl-3-phenyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032185
(2R)-2-amino-N-methyl-3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 79494737
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 106151574

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide (CID 79494761) is 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide is CCC(C#N)C(=O)N(C)CCc1cccs1.
What is the InChIKey of 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide?
The InChIKey is XNUJMAMNJKRUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-10(9-13)12(15)14(2)7-6-11-5-4-8-16-11/h4-5,8,10H,3,6-7H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide?
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide has a molecular weight of 236.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 79494761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).