2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

C14H13Cl2NOS2 — CID 46819854

IUPAC2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1cccs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NOS2/c15-10-3-4-13(16)12(8-10)14(18)17-5-7-19-9-11-2-1-6-20-11/h1-4,6,8H,5,7,9H2,(H,17,18)
InChIKeyCOQVFVBEIVBZPC-UHFFFAOYSA-N
MW346.30 g/mol
LogP4.72
Rot. Bonds6

About 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 46819854) has the molecular formula C14H13Cl2NOS2 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID46819854
Molecular FormulaC14H13Cl2NOS2
Molecular Weight346.30 g/mol
Exact Mass344.98
IUPAC Name2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1cccs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NOS2/c15-10-3-4-13(16)12(8-10)14(18)17-5-7-19-9-11-2-1-6-20-11/h1-4,6,8H,5,7,9H2,(H,17,18)
InChIKeyCOQVFVBEIVBZPC-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide 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-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582593
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
CID 24548909
4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
2-(difluoromethoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46516746
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-chlorobenzoate
CID 8860321
5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 46516732
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 17408604
4-(methylsulfamoyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 17443070

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide (CID 46819854) is 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1cccs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is COQVFVBEIVBZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS2/c15-10-3-4-13(16)12(8-10)14(18)17-5-7-19-9-11-2-1-6-20-11/h1-4,6,8H,5,7,9H2,(H,17,18).
What are the key properties of 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 346.30 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 46819854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).