N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide

C17H14Cl2N2O2S — CID 984888

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESN#Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2
InChIInChI=1S/C17H14Cl2N2O2S/c18-10-5-6-14(13(19)7-10)23-9-16(22)21-17-12(8-20)11-3-1-2-4-15(11)24-17/h5-7H,1-4,9H2,(H,21,22)
InChIKeyJRLMYBPYPFWOOI-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.82
Rot. Bonds4

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 984888) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID984888
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESN#Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2
InChIInChI=1S/C17H14Cl2N2O2S/c18-10-5-6-14(13(19)7-10)23-9-16(22)21-17-12(8-20)11-3-1-2-4-15(11)24-17/h5-7H,1-4,9H2,(H,21,22)
InChIKeyJRLMYBPYPFWOOI-UHFFFAOYSA-N
XLogP4.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)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-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide (CID 984888) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide is N#Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is JRLMYBPYPFWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c18-10-5-6-14(13(19)7-10)23-9-16(22)21-17-12(8-20)11-3-1-2-4-15(11)24-17/h5-7H,1-4,9H2,(H,21,22).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 381.28 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 984888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).