N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide

C13H11Cl2NOS — CID 2801025

IUPACN-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2NOS/c14-10-4-9(5-11(15)6-10)8-16-13(17)7-12-2-1-3-18-12/h1-6H,7-8H2,(H,16,17)
InChIKeyMPMBZTOUAZTDBG-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.91
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide

N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 2801025) has the molecular formula C13H11Cl2NOS and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID2801025
Molecular FormulaC13H11Cl2NOS
Molecular Weight300.21 g/mol
Exact Mass298.99
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H11Cl2NOS/c14-10-4-9(5-11(15)6-10)8-16-13(17)7-12-2-1-3-18-12/h1-6H,7-8H2,(H,16,17)
InChIKeyMPMBZTOUAZTDBG-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide 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-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
CID 47162733
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827722
N-[(3,7-dichloroquinoxalin-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 58475305

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide (CID 2801025) is N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is MPMBZTOUAZTDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NOS/c14-10-4-9(5-11(15)6-10)8-16-13(17)7-12-2-1-3-18-12/h1-6H,7-8H2,(H,16,17).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 300.21 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2801025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).