N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide

C15H12Cl2N2O2S — CID 2970423

IUPACN-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
SMILESN#Cc1ccsc1NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2S/c16-11-3-4-13(12(17)8-11)21-6-1-2-14(20)19-15-10(9-18)5-7-22-15/h3-5,7-8H,1-2,6H2,(H,19,20)
InChIKeyBENYZKAQZDLHOC-UHFFFAOYSA-N
MW355.25 g/mol
LogP4.72
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide

N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 2970423) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
PubChem CID2970423
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC NameN-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
SMILESN#Cc1ccsc1NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O2S/c16-11-3-4-13(12(17)8-11)21-6-1-2-14(20)19-15-10(9-18)5-7-22-15/h3-5,7-8H,1-2,6H2,(H,19,20)
InChIKeyBENYZKAQZDLHOC-UHFFFAOYSA-N
XLogP4.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 2171070
2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 2117847
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4148471
2-(2-chloro-4-phenylphenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 18224963
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(2,4-dichlorophenoxy)butanamide
CID 5116893
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide (CID 2970423) is N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide is N#Cc1ccsc1NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is BENYZKAQZDLHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c16-11-3-4-13(12(17)8-11)21-6-1-2-14(20)19-15-10(9-18)5-7-22-15/h3-5,7-8H,1-2,6H2,(H,19,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide?
N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 355.25 g/mol, XLogP of 4.72, 6 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)-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 2970423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).